USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 81 ASN : amide:sc= 1.95 K(o=4,f=0.56) USER MOD Set 1.2: B 83 SER OG : rot 93:sc= 0.971 USER MOD Set 1.3: B 84 THR OG1 : rot 88:sc= 1.1 USER MOD Set 2.1: B 66 GLN : amide:sc= -0.0355 K(o=-3.7,f=-4.3) USER MOD Set 2.2: B 76 ASN : amide:sc= -3.69! C(o=-3.7!,f=-6!) USER MOD Set 3.1: B 56 SER OG : rot 139:sc= -1.62! USER MOD Set 3.2: B 64 GLN : amide:sc= -1.82! K(o=-6.6!,f=-7.3) USER MOD Set 3.3: B 78 HIS : no HD1:sc= -3.11! K(o=-6.6!,f=-7.6) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -1.39! C(o=-0.26!,f=-3.6!) USER MOD Set 4.2: B 75 THR OG1 : rot -144:sc= 1.12 USER MOD Set 5.1: B 13 LYS NZ :NH3+ -137:sc= 0.736 (180deg=-0.211) USER MOD Set 5.2: B 25 TYR OH : rot 150:sc= 0.648 USER MOD Set 6.1: A 414 LYS NZ :NH3+ 156:sc= 2.39 (180deg=-0.197) USER MOD Set 6.2: B 97 GLN : amide:sc= -6.92! C(o=-4.5!,f=-14!) USER MOD Single : B 14 LYS NZ :NH3+ -153:sc= 1.04 (180deg=-0.485!) USER MOD Single : B 17 GLN : amide:sc= 0.794 K(o=0.79,f=-0.021) USER MOD Single : B 18 LYS NZ :NH3+ 163:sc= 0.962 (180deg=0.516) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : B 27 MET CE :methyl -179:sc= -0.17 (180deg=-0.174) USER MOD Single : B 42 THR OG1 : rot -16:sc= 0.407 USER MOD Single : B 44 SER OG : rot -160:sc= 0.829 USER MOD Single : B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 154:sc= 0.686 USER MOD Single : B 51 LYS NZ :NH3+ 158:sc= 1.28 (180deg=1.23) USER MOD Single : B 52 CYS SG : rot 121:sc= 1.3 USER MOD Single : B 53 GLN : amide:sc= -5.76! K(o=-5.8!,f=-4.7) USER MOD Single : B 54 LYS NZ :NH3+ 158:sc= 0.3 (180deg=-2.28!) USER MOD Single : B 60 LYS NZ :NH3+ -163:sc= -0.638 (180deg=-1.28!) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 HIS : no HD1:sc=-0.00685 K(o=-0.0068,f=-2) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 SER OG : rot 41:sc= 1.13 USER MOD Single : B 87 LYS NZ :NH3+ -109:sc= 0.478 (180deg=0) USER MOD Single : B 93 LYS NZ :NH3+ -176:sc= 2.33 (180deg=2.21) USER MOD Single : B 98 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.0014) USER MOD ----------------------------------------------------------------- ATOM 229 N ASP A 405 10.376 9.136 11.828 1.00 0.00 N ATOM 230 CA ASP A 405 9.920 7.762 11.998 1.00 0.00 C ATOM 231 C ASP A 405 9.127 7.587 13.292 1.00 0.00 C ATOM 232 O ASP A 405 9.141 6.520 13.902 1.00 0.00 O ATOM 233 CB ASP A 405 11.124 6.805 11.977 1.00 0.00 C ATOM 234 CG ASP A 405 12.020 6.995 10.758 1.00 0.00 C ATOM 235 OD1 ASP A 405 11.497 7.060 9.623 1.00 0.00 O ATOM 236 OD2 ASP A 405 13.256 7.081 10.932 1.00 0.00 O ATOM 0 HA ASP A 405 9.253 7.524 11.169 1.00 0.00 H new ATOM 0 HB2 ASP A 405 11.715 6.954 12.881 1.00 0.00 H new ATOM 0 HB3 ASP A 405 10.763 5.777 11.998 1.00 0.00 H new ATOM 241 N GLU A 406 8.419 8.634 13.685 1.00 0.00 N ATOM 242 CA GLU A 406 7.616 8.623 14.893 1.00 0.00 C ATOM 243 C GLU A 406 6.305 9.373 14.664 1.00 0.00 C ATOM 244 O GLU A 406 6.206 10.176 13.734 1.00 0.00 O ATOM 245 CB GLU A 406 8.404 9.267 16.042 1.00 0.00 C ATOM 246 CG GLU A 406 7.643 9.356 17.358 1.00 0.00 C ATOM 247 CD GLU A 406 7.246 7.997 17.906 1.00 0.00 C ATOM 248 OE1 GLU A 406 7.893 7.532 18.864 1.00 0.00 O ATOM 249 OE2 GLU A 406 6.282 7.402 17.376 1.00 0.00 O ATOM 0 H GLU A 406 8.386 9.516 13.173 1.00 0.00 H new ATOM 0 HA GLU A 406 7.381 7.592 15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 406 9.318 8.696 16.204 1.00 0.00 H new ATOM 0 HB3 GLU A 406 8.704 10.271 15.742 1.00 0.00 H new ATOM 0 HG2 GLU A 406 8.259 9.872 18.094 1.00 0.00 H new ATOM 0 HG3 GLU A 406 6.747 9.959 17.213 1.00 0.00 H new ATOM 256 N ASP A 407 5.311 9.079 15.503 1.00 0.00 N ATOM 257 CA ASP A 407 4.004 9.702 15.451 1.00 0.00 C ATOM 258 C ASP A 407 3.236 9.262 14.222 1.00 0.00 C ATOM 259 O ASP A 407 3.054 10.025 13.279 1.00 0.00 O ATOM 260 CB ASP A 407 4.087 11.225 15.538 1.00 0.00 C ATOM 261 CG ASP A 407 2.742 11.863 15.837 1.00 0.00 C ATOM 262 OD1 ASP A 407 2.668 13.109 15.849 1.00 0.00 O ATOM 263 OD2 ASP A 407 1.761 11.119 16.057 1.00 0.00 O ATOM 0 H ASP A 407 5.401 8.388 16.248 1.00 0.00 H new ATOM 0 HA ASP A 407 3.455 9.364 16.330 1.00 0.00 H new ATOM 0 HB2 ASP A 407 4.799 11.503 16.315 1.00 0.00 H new ATOM 0 HB3 ASP A 407 4.472 11.619 14.597 1.00 0.00 H new ATOM 268 N PHE A 408 2.859 7.988 14.215 1.00 0.00 N ATOM 269 CA PHE A 408 2.060 7.419 13.155 1.00 0.00 C ATOM 270 C PHE A 408 0.870 6.754 13.796 1.00 0.00 C ATOM 271 O PHE A 408 1.010 5.918 14.689 1.00 0.00 O ATOM 272 CB PHE A 408 2.839 6.391 12.319 1.00 0.00 C ATOM 273 CG PHE A 408 3.898 6.970 11.428 1.00 0.00 C ATOM 274 CD1 PHE A 408 5.010 7.601 11.957 1.00 0.00 C ATOM 275 CD2 PHE A 408 3.780 6.876 10.053 1.00 0.00 C ATOM 276 CE1 PHE A 408 5.976 8.132 11.131 1.00 0.00 C ATOM 277 CE2 PHE A 408 4.743 7.404 9.224 1.00 0.00 C ATOM 278 CZ PHE A 408 5.841 8.033 9.763 1.00 0.00 C ATOM 0 H PHE A 408 3.104 7.325 14.951 1.00 0.00 H new ATOM 0 HA PHE A 408 1.760 8.214 12.472 1.00 0.00 H new ATOM 0 HB2 PHE A 408 3.306 5.674 12.995 1.00 0.00 H new ATOM 0 HB3 PHE A 408 2.132 5.835 11.704 1.00 0.00 H new ATOM 0 HD1 PHE A 408 5.122 7.678 13.028 1.00 0.00 H new ATOM 0 HD2 PHE A 408 2.921 6.382 9.624 1.00 0.00 H new ATOM 0 HE1 PHE A 408 6.838 8.625 11.555 1.00 0.00 H new ATOM 0 HE2 PHE A 408 4.637 7.325 8.152 1.00 0.00 H new ATOM 0 HZ PHE A 408 6.597 8.449 9.114 1.00 0.00 H new ATOM 288 N VAL A 409 -0.290 7.128 13.333 1.00 0.00 N ATOM 289 CA VAL A 409 -1.512 6.607 13.850 1.00 0.00 C ATOM 290 C VAL A 409 -1.823 5.313 13.162 1.00 0.00 C ATOM 291 O VAL A 409 -1.933 5.254 11.943 1.00 0.00 O ATOM 292 CB VAL A 409 -2.603 7.668 13.713 1.00 0.00 C ATOM 293 CG1 VAL A 409 -2.266 8.724 14.695 1.00 0.00 C ATOM 294 CG2 VAL A 409 -2.639 8.297 12.357 1.00 0.00 C ATOM 0 H VAL A 409 -0.409 7.807 12.582 1.00 0.00 H new ATOM 0 HA VAL A 409 -1.437 6.378 14.913 1.00 0.00 H new ATOM 0 HB VAL A 409 -3.575 7.203 13.876 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -3.012 9.517 14.647 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -2.254 8.298 15.698 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -1.284 9.136 14.464 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -3.434 9.042 12.322 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -1.682 8.778 12.154 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -2.827 7.530 11.605 1.00 0.00 H new ATOM 304 N GLU A 410 -1.914 4.271 13.958 1.00 0.00 N ATOM 305 CA GLU A 410 -2.127 2.948 13.436 1.00 0.00 C ATOM 306 C GLU A 410 -3.364 2.878 12.558 1.00 0.00 C ATOM 307 O GLU A 410 -4.470 3.241 12.965 1.00 0.00 O ATOM 308 CB GLU A 410 -2.217 1.916 14.551 1.00 0.00 C ATOM 309 CG GLU A 410 -1.991 0.501 14.050 1.00 0.00 C ATOM 310 CD GLU A 410 -0.717 -0.111 14.595 1.00 0.00 C ATOM 311 OE1 GLU A 410 -0.417 0.085 15.791 1.00 0.00 O ATOM 312 OE2 GLU A 410 0.022 -0.755 13.822 1.00 0.00 O ATOM 0 H GLU A 410 -1.843 4.319 14.974 1.00 0.00 H new ATOM 0 HA GLU A 410 -1.260 2.714 12.818 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -1.479 2.149 15.318 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -3.198 1.979 15.023 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -2.840 -0.121 14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -1.950 0.507 12.961 1.00 0.00 H new ATOM 319 N VAL A 411 -3.145 2.416 11.351 1.00 0.00 N ATOM 320 CA VAL A 411 -4.185 2.253 10.378 1.00 0.00 C ATOM 321 C VAL A 411 -4.665 0.809 10.409 1.00 0.00 C ATOM 322 O VAL A 411 -3.911 -0.120 10.093 1.00 0.00 O ATOM 323 CB VAL A 411 -3.703 2.625 8.960 1.00 0.00 C ATOM 324 CG1 VAL A 411 -4.883 2.774 8.031 1.00 0.00 C ATOM 325 CG2 VAL A 411 -2.913 3.888 8.998 1.00 0.00 C ATOM 0 H VAL A 411 -2.222 2.140 11.017 1.00 0.00 H new ATOM 0 HA VAL A 411 -5.005 2.927 10.627 1.00 0.00 H new ATOM 0 HB VAL A 411 -3.063 1.825 8.587 1.00 0.00 H new ATOM 0 HG11 VAL A 411 -4.530 3.037 7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 411 -5.432 1.833 7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 411 -5.541 3.560 8.402 1.00 0.00 H new ATOM 0 HG21 VAL A 411 -2.579 4.139 7.991 1.00 0.00 H new ATOM 0 HG22 VAL A 411 -3.535 4.695 9.386 1.00 0.00 H new ATOM 0 HG23 VAL A 411 -2.046 3.756 9.645 1.00 0.00 H new ATOM 335 N PRO A 412 -5.910 0.606 10.846 1.00 0.00 N ATOM 336 CA PRO A 412 -6.517 -0.722 10.939 1.00 0.00 C ATOM 337 C PRO A 412 -6.929 -1.253 9.576 1.00 0.00 C ATOM 338 O PRO A 412 -6.863 -0.537 8.580 1.00 0.00 O ATOM 339 CB PRO A 412 -7.751 -0.468 11.802 1.00 0.00 C ATOM 340 CG PRO A 412 -8.129 0.934 11.476 1.00 0.00 C ATOM 341 CD PRO A 412 -6.832 1.665 11.294 1.00 0.00 C ATOM 0 HA PRO A 412 -5.834 -1.467 11.346 1.00 0.00 H new ATOM 0 HB2 PRO A 412 -8.555 -1.165 11.565 1.00 0.00 H new ATOM 0 HB3 PRO A 412 -7.529 -0.586 12.863 1.00 0.00 H new ATOM 0 HG2 PRO A 412 -8.734 0.977 10.571 1.00 0.00 H new ATOM 0 HG3 PRO A 412 -8.721 1.378 12.277 1.00 0.00 H new ATOM 0 HD2 PRO A 412 -6.919 2.462 10.556 1.00 0.00 H new ATOM 0 HD3 PRO A 412 -6.495 2.126 12.223 1.00 0.00 H new ATOM 349 N GLU A 413 -7.357 -2.502 9.537 1.00 0.00 N ATOM 350 CA GLU A 413 -7.796 -3.116 8.297 1.00 0.00 C ATOM 351 C GLU A 413 -9.306 -2.947 8.165 1.00 0.00 C ATOM 352 O GLU A 413 -10.001 -2.791 9.169 1.00 0.00 O ATOM 353 CB GLU A 413 -7.409 -4.594 8.277 1.00 0.00 C ATOM 354 CG GLU A 413 -6.027 -4.854 8.856 1.00 0.00 C ATOM 355 CD GLU A 413 -5.470 -6.202 8.462 1.00 0.00 C ATOM 356 OE1 GLU A 413 -4.832 -6.292 7.395 1.00 0.00 O ATOM 357 OE2 GLU A 413 -5.648 -7.172 9.222 1.00 0.00 O ATOM 0 H GLU A 413 -7.410 -3.112 10.352 1.00 0.00 H new ATOM 0 HA GLU A 413 -7.309 -2.630 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -8.147 -5.165 8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.441 -4.959 7.250 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -5.345 -4.072 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -6.076 -4.790 9.943 1.00 0.00 H new ATOM 364 N LYS A 414 -9.817 -2.955 6.942 1.00 0.00 N ATOM 365 CA LYS A 414 -11.245 -2.783 6.736 1.00 0.00 C ATOM 366 C LYS A 414 -11.868 -3.979 6.029 1.00 0.00 C ATOM 367 O LYS A 414 -12.895 -4.483 6.473 1.00 0.00 O ATOM 368 CB LYS A 414 -11.521 -1.499 5.956 1.00 0.00 C ATOM 369 CG LYS A 414 -11.699 -0.290 6.859 1.00 0.00 C ATOM 370 CD LYS A 414 -10.873 0.892 6.391 1.00 0.00 C ATOM 371 CE LYS A 414 -11.619 1.739 5.377 1.00 0.00 C ATOM 372 NZ LYS A 414 -11.186 3.170 5.412 1.00 0.00 N ATOM 0 H LYS A 414 -9.271 -3.077 6.089 1.00 0.00 H new ATOM 0 HA LYS A 414 -11.709 -2.708 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 414 -10.698 -1.314 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 414 -12.419 -1.632 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 414 -12.752 -0.009 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 414 -11.413 -0.552 7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 414 -10.602 1.508 7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 414 -9.943 0.533 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 414 -11.455 1.336 4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 414 -12.690 1.680 5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 414 -11.385 3.616 4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 414 -11.706 3.672 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 414 -10.166 3.219 5.607 1.00 0.00 H new ATOM 786 N VAL B 8 -0.904 -2.487 -10.855 1.00 0.00 N ATOM 787 CA VAL B 8 -0.751 -1.308 -10.023 1.00 0.00 C ATOM 788 C VAL B 8 -2.106 -0.648 -9.835 1.00 0.00 C ATOM 789 O VAL B 8 -2.579 0.088 -10.700 1.00 0.00 O ATOM 790 CB VAL B 8 0.240 -0.289 -10.626 1.00 0.00 C ATOM 791 CG1 VAL B 8 0.549 0.810 -9.623 1.00 0.00 C ATOM 792 CG2 VAL B 8 1.523 -0.972 -11.076 1.00 0.00 C ATOM 0 HA VAL B 8 -0.345 -1.630 -9.064 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.230 0.159 -11.502 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.249 1.519 -10.065 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.372 1.328 -9.355 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.992 0.372 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.202 -0.230 -11.496 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.997 -1.455 -10.222 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.290 -1.721 -11.833 1.00 0.00 H new ATOM 802 N LEU B 9 -2.731 -0.939 -8.707 1.00 0.00 N ATOM 803 CA LEU B 9 -4.044 -0.404 -8.394 1.00 0.00 C ATOM 804 C LEU B 9 -3.951 1.053 -7.971 1.00 0.00 C ATOM 805 O LEU B 9 -4.883 1.827 -8.182 1.00 0.00 O ATOM 806 CB LEU B 9 -4.702 -1.218 -7.275 1.00 0.00 C ATOM 807 CG LEU B 9 -4.680 -2.737 -7.461 1.00 0.00 C ATOM 808 CD1 LEU B 9 -5.363 -3.422 -6.290 1.00 0.00 C ATOM 809 CD2 LEU B 9 -5.351 -3.133 -8.769 1.00 0.00 C ATOM 0 H LEU B 9 -2.345 -1.549 -7.986 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.653 -0.471 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -4.205 -0.978 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.739 -0.897 -7.178 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.640 -3.060 -7.499 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.340 -4.502 -6.436 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -4.842 -3.169 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.398 -3.087 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.323 -4.217 -8.879 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.387 -2.796 -8.763 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.824 -2.670 -9.603 1.00 0.00 H new ATOM 821 N LEU B 10 -2.831 1.430 -7.372 1.00 0.00 N ATOM 822 CA LEU B 10 -2.666 2.805 -6.923 1.00 0.00 C ATOM 823 C LEU B 10 -1.291 3.353 -7.264 1.00 0.00 C ATOM 824 O LEU B 10 -0.272 2.739 -6.953 1.00 0.00 O ATOM 825 CB LEU B 10 -2.900 2.893 -5.419 1.00 0.00 C ATOM 826 CG LEU B 10 -3.259 4.287 -4.901 1.00 0.00 C ATOM 827 CD1 LEU B 10 -4.678 4.669 -5.296 1.00 0.00 C ATOM 828 CD2 LEU B 10 -3.101 4.348 -3.395 1.00 0.00 C ATOM 0 H LEU B 10 -2.037 0.817 -7.188 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.404 3.413 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.701 2.205 -5.150 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.001 2.552 -4.906 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.574 5.002 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -4.906 5.664 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.766 4.668 -6.382 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.379 3.949 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.360 5.346 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.761 3.616 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.068 4.126 -3.128 1.00 0.00 H new ATOM 840 N ILE B 11 -1.268 4.513 -7.901 1.00 0.00 N ATOM 841 CA ILE B 11 -0.020 5.159 -8.270 1.00 0.00 C ATOM 842 C ILE B 11 0.144 6.461 -7.498 1.00 0.00 C ATOM 843 O ILE B 11 -0.560 7.438 -7.747 1.00 0.00 O ATOM 844 CB ILE B 11 0.060 5.442 -9.789 1.00 0.00 C ATOM 845 CG1 ILE B 11 -0.028 4.129 -10.574 1.00 0.00 C ATOM 846 CG2 ILE B 11 1.348 6.186 -10.127 1.00 0.00 C ATOM 847 CD1 ILE B 11 0.157 4.290 -12.069 1.00 0.00 C ATOM 0 H ILE B 11 -2.105 5.028 -8.174 1.00 0.00 H new ATOM 0 HA ILE B 11 0.788 4.473 -8.015 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.782 6.074 -10.073 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.729 3.441 -10.197 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.998 3.670 -10.386 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.387 6.377 -11.199 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.373 7.134 -9.589 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.206 5.580 -9.834 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.081 3.316 -12.552 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.615 4.951 -12.462 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.139 4.719 -12.270 1.00 0.00 H new ATOM 859 N VAL B 12 1.062 6.448 -6.547 1.00 0.00 N ATOM 860 CA VAL B 12 1.354 7.610 -5.723 1.00 0.00 C ATOM 861 C VAL B 12 2.645 8.249 -6.211 1.00 0.00 C ATOM 862 O VAL B 12 3.610 7.543 -6.517 1.00 0.00 O ATOM 863 CB VAL B 12 1.510 7.210 -4.244 1.00 0.00 C ATOM 864 CG1 VAL B 12 1.374 8.421 -3.339 1.00 0.00 C ATOM 865 CG2 VAL B 12 0.499 6.139 -3.871 1.00 0.00 C ATOM 0 H VAL B 12 1.628 5.629 -6.323 1.00 0.00 H new ATOM 0 HA VAL B 12 0.527 8.315 -5.803 1.00 0.00 H new ATOM 0 HB VAL B 12 2.510 6.798 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL B 12 1.488 8.113 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL B 12 2.145 9.150 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.391 8.871 -3.478 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.625 5.869 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.510 6.520 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.656 5.258 -4.493 1.00 0.00 H new ATOM 875 N LYS B 13 2.680 9.567 -6.288 1.00 0.00 N ATOM 876 CA LYS B 13 3.872 10.245 -6.767 1.00 0.00 C ATOM 877 C LYS B 13 4.525 11.077 -5.680 1.00 0.00 C ATOM 878 O LYS B 13 3.903 11.407 -4.674 1.00 0.00 O ATOM 879 CB LYS B 13 3.554 11.110 -7.987 1.00 0.00 C ATOM 880 CG LYS B 13 3.713 10.366 -9.305 1.00 0.00 C ATOM 881 CD LYS B 13 5.106 9.765 -9.431 1.00 0.00 C ATOM 882 CE LYS B 13 5.277 9.001 -10.734 1.00 0.00 C ATOM 883 NZ LYS B 13 6.562 8.250 -10.771 1.00 0.00 N ATOM 0 H LYS B 13 1.909 10.183 -6.029 1.00 0.00 H new ATOM 0 HA LYS B 13 4.584 9.474 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS B 13 2.532 11.479 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS B 13 4.209 11.981 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS B 13 2.965 9.576 -9.372 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.532 11.048 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS B 13 5.851 10.559 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.290 9.096 -8.591 1.00 0.00 H new ATOM 0 HE2 LYS B 13 4.446 8.306 -10.860 1.00 0.00 H new ATOM 0 HE3 LYS B 13 5.239 9.698 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 7.003 8.363 -11.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.202 8.620 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.380 7.242 -10.593 1.00 0.00 H new ATOM 897 N LYS B 14 5.794 11.410 -5.915 1.00 0.00 N ATOM 898 CA LYS B 14 6.594 12.197 -4.995 1.00 0.00 C ATOM 899 C LYS B 14 6.508 11.663 -3.570 1.00 0.00 C ATOM 900 O LYS B 14 6.028 12.338 -2.657 1.00 0.00 O ATOM 901 CB LYS B 14 6.162 13.654 -5.072 1.00 0.00 C ATOM 902 CG LYS B 14 6.922 14.452 -6.117 1.00 0.00 C ATOM 903 CD LYS B 14 8.403 14.540 -5.783 1.00 0.00 C ATOM 904 CE LYS B 14 9.259 14.555 -7.040 1.00 0.00 C ATOM 905 NZ LYS B 14 9.764 13.199 -7.388 1.00 0.00 N ATOM 0 H LYS B 14 6.295 11.135 -6.760 1.00 0.00 H new ATOM 0 HA LYS B 14 7.641 12.121 -5.289 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.096 13.698 -5.296 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.303 14.119 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.795 13.987 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.503 15.456 -6.185 1.00 0.00 H new ATOM 0 HD2 LYS B 14 8.593 15.442 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS B 14 8.687 13.693 -5.158 1.00 0.00 H new ATOM 0 HE2 LYS B 14 8.675 14.948 -7.872 1.00 0.00 H new ATOM 0 HE3 LYS B 14 10.103 15.230 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 10.655 13.286 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 9.930 12.656 -6.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 9.060 12.706 -7.974 1.00 0.00 H new ATOM 919 N VAL B 15 6.989 10.444 -3.395 1.00 0.00 N ATOM 920 CA VAL B 15 7.004 9.793 -2.099 1.00 0.00 C ATOM 921 C VAL B 15 8.445 9.534 -1.704 1.00 0.00 C ATOM 922 O VAL B 15 9.219 8.975 -2.477 1.00 0.00 O ATOM 923 CB VAL B 15 6.201 8.477 -2.108 1.00 0.00 C ATOM 924 CG1 VAL B 15 6.354 7.727 -0.791 1.00 0.00 C ATOM 925 CG2 VAL B 15 4.739 8.768 -2.387 1.00 0.00 C ATOM 0 H VAL B 15 7.380 9.879 -4.149 1.00 0.00 H new ATOM 0 HA VAL B 15 6.527 10.449 -1.371 1.00 0.00 H new ATOM 0 HB VAL B 15 6.596 7.840 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.776 6.804 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.405 7.491 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.990 8.349 0.027 1.00 0.00 H new ATOM 0 HG21 VAL B 15 4.177 7.834 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL B 15 4.344 9.425 -1.612 1.00 0.00 H new ATOM 0 HG23 VAL B 15 4.644 9.254 -3.358 1.00 0.00 H new ATOM 935 N ARG B 16 8.800 9.944 -0.507 1.00 0.00 N ATOM 936 CA ARG B 16 10.158 9.810 -0.032 1.00 0.00 C ATOM 937 C ARG B 16 10.340 8.696 0.977 1.00 0.00 C ATOM 938 O ARG B 16 9.461 8.412 1.789 1.00 0.00 O ATOM 939 CB ARG B 16 10.590 11.106 0.633 1.00 0.00 C ATOM 940 CG ARG B 16 11.189 12.128 -0.307 1.00 0.00 C ATOM 941 CD ARG B 16 11.499 13.409 0.439 1.00 0.00 C ATOM 942 NE ARG B 16 11.932 13.151 1.815 1.00 0.00 N ATOM 943 CZ ARG B 16 12.400 14.088 2.631 1.00 0.00 C ATOM 944 NH1 ARG B 16 12.482 15.337 2.226 1.00 0.00 N ATOM 945 NH2 ARG B 16 12.765 13.780 3.861 1.00 0.00 N ATOM 0 H ARG B 16 8.161 10.376 0.160 1.00 0.00 H new ATOM 0 HA ARG B 16 10.762 9.573 -0.908 1.00 0.00 H new ATOM 0 HB2 ARG B 16 9.727 11.550 1.129 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.319 10.875 1.410 1.00 0.00 H new ATOM 0 HG2 ARG B 16 12.100 11.730 -0.755 1.00 0.00 H new ATOM 0 HG3 ARG B 16 10.495 12.333 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG B 16 12.279 13.957 -0.090 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.614 14.045 0.451 1.00 0.00 H new ATOM 0 HE ARG B 16 11.870 12.195 2.167 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.186 15.588 1.283 1.00 0.00 H new ATOM 0 HH12 ARG B 16 12.842 16.055 2.855 1.00 0.00 H new ATOM 0 HH21 ARG B 16 12.688 12.817 4.190 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.124 14.504 4.483 1.00 0.00 H new ATOM 959 N GLN B 17 11.498 8.073 0.905 1.00 0.00 N ATOM 960 CA GLN B 17 11.877 7.049 1.848 1.00 0.00 C ATOM 961 C GLN B 17 13.160 7.530 2.516 1.00 0.00 C ATOM 962 O GLN B 17 14.236 7.404 1.943 1.00 0.00 O ATOM 963 CB GLN B 17 12.109 5.721 1.117 1.00 0.00 C ATOM 964 CG GLN B 17 11.696 4.485 1.902 1.00 0.00 C ATOM 965 CD GLN B 17 12.492 4.307 3.176 1.00 0.00 C ATOM 966 OE1 GLN B 17 13.592 3.762 3.168 1.00 0.00 O ATOM 967 NE2 GLN B 17 11.931 4.751 4.285 1.00 0.00 N ATOM 0 H GLN B 17 12.200 8.264 0.191 1.00 0.00 H new ATOM 0 HA GLN B 17 11.096 6.878 2.589 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.559 5.738 0.176 1.00 0.00 H new ATOM 0 HB3 GLN B 17 13.167 5.639 0.866 1.00 0.00 H new ATOM 0 HG2 GLN B 17 10.636 4.553 2.148 1.00 0.00 H new ATOM 0 HG3 GLN B 17 11.821 3.603 1.274 1.00 0.00 H new ATOM 0 HE21 GLN B 17 11.015 5.198 4.249 1.00 0.00 H new ATOM 0 HE22 GLN B 17 12.413 4.647 5.178 1.00 0.00 H new ATOM 976 N LYS B 18 13.031 8.052 3.735 1.00 0.00 N ATOM 977 CA LYS B 18 14.158 8.592 4.496 1.00 0.00 C ATOM 978 C LYS B 18 15.130 9.400 3.614 1.00 0.00 C ATOM 979 O LYS B 18 16.272 8.996 3.395 1.00 0.00 O ATOM 980 CB LYS B 18 14.858 7.468 5.245 1.00 0.00 C ATOM 981 CG LYS B 18 14.148 7.089 6.540 1.00 0.00 C ATOM 982 CD LYS B 18 15.107 6.540 7.584 1.00 0.00 C ATOM 983 CE LYS B 18 15.728 7.654 8.418 1.00 0.00 C ATOM 984 NZ LYS B 18 14.711 8.407 9.206 1.00 0.00 N ATOM 0 H LYS B 18 12.138 8.113 4.225 1.00 0.00 H new ATOM 0 HA LYS B 18 13.768 9.302 5.226 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.920 6.591 4.600 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.880 7.770 5.472 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.639 7.965 6.942 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.381 6.344 6.327 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.576 5.848 8.238 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.895 5.971 7.091 1.00 0.00 H new ATOM 0 HE2 LYS B 18 16.467 7.228 9.096 1.00 0.00 H new ATOM 0 HE3 LYS B 18 16.259 8.343 7.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 15.185 8.946 9.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.201 9.062 8.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.036 7.739 9.631 1.00 0.00 H new ATOM 998 N LYS B 19 14.626 10.531 3.095 1.00 0.00 N ATOM 999 CA LYS B 19 15.376 11.450 2.229 1.00 0.00 C ATOM 1000 C LYS B 19 15.666 10.884 0.832 1.00 0.00 C ATOM 1001 O LYS B 19 16.646 11.274 0.191 1.00 0.00 O ATOM 1002 CB LYS B 19 16.667 11.880 2.913 1.00 0.00 C ATOM 1003 CG LYS B 19 16.551 13.153 3.748 1.00 0.00 C ATOM 1004 CD LYS B 19 15.936 14.303 2.960 1.00 0.00 C ATOM 1005 CE LYS B 19 16.884 15.494 2.821 1.00 0.00 C ATOM 1006 NZ LYS B 19 17.529 15.530 1.479 1.00 0.00 N ATOM 0 H LYS B 19 13.669 10.836 3.270 1.00 0.00 H new ATOM 0 HA LYS B 19 14.735 12.318 2.072 1.00 0.00 H new ATOM 0 HB2 LYS B 19 17.009 11.069 3.556 1.00 0.00 H new ATOM 0 HB3 LYS B 19 17.434 12.029 2.152 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.943 12.953 4.630 1.00 0.00 H new ATOM 0 HG3 LYS B 19 17.540 13.445 4.102 1.00 0.00 H new ATOM 0 HD2 LYS B 19 15.655 13.949 1.968 1.00 0.00 H new ATOM 0 HD3 LYS B 19 15.020 14.628 3.454 1.00 0.00 H new ATOM 0 HE2 LYS B 19 16.332 16.420 2.985 1.00 0.00 H new ATOM 0 HE3 LYS B 19 17.652 15.440 3.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 18.165 16.351 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 18.076 14.658 1.333 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 16.797 15.607 0.744 1.00 0.00 H new ATOM 1020 N GLN B 20 14.809 9.992 0.351 1.00 0.00 N ATOM 1021 CA GLN B 20 14.972 9.421 -0.986 1.00 0.00 C ATOM 1022 C GLN B 20 13.748 9.730 -1.845 1.00 0.00 C ATOM 1023 O GLN B 20 12.629 9.374 -1.484 1.00 0.00 O ATOM 1024 CB GLN B 20 15.191 7.910 -0.920 1.00 0.00 C ATOM 1025 CG GLN B 20 16.528 7.505 -0.324 1.00 0.00 C ATOM 1026 CD GLN B 20 16.637 6.007 -0.118 1.00 0.00 C ATOM 1027 OE1 GLN B 20 17.112 5.278 -0.988 1.00 0.00 O ATOM 1028 NE2 GLN B 20 16.182 5.538 1.031 1.00 0.00 N ATOM 0 H GLN B 20 13.996 9.648 0.862 1.00 0.00 H new ATOM 0 HA GLN B 20 15.854 9.875 -1.438 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.391 7.463 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.113 7.498 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN B 20 17.332 7.838 -0.981 1.00 0.00 H new ATOM 0 HG3 GLN B 20 16.666 8.012 0.631 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.796 6.177 1.726 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.217 4.537 1.223 1.00 0.00 H new ATOM 1037 N ASP B 21 13.971 10.397 -2.971 1.00 0.00 N ATOM 1038 CA ASP B 21 12.894 10.776 -3.892 1.00 0.00 C ATOM 1039 C ASP B 21 12.412 9.571 -4.688 1.00 0.00 C ATOM 1040 O ASP B 21 13.208 8.887 -5.331 1.00 0.00 O ATOM 1041 CB ASP B 21 13.389 11.862 -4.856 1.00 0.00 C ATOM 1042 CG ASP B 21 12.269 12.540 -5.624 1.00 0.00 C ATOM 1043 OD1 ASP B 21 12.571 13.390 -6.497 1.00 0.00 O ATOM 1044 OD2 ASP B 21 11.086 12.251 -5.350 1.00 0.00 O ATOM 0 H ASP B 21 14.899 10.692 -3.275 1.00 0.00 H new ATOM 0 HA ASP B 21 12.061 11.161 -3.303 1.00 0.00 H new ATOM 0 HB2 ASP B 21 13.941 12.614 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP B 21 14.089 11.418 -5.564 1.00 0.00 H new ATOM 1049 N GLY B 22 11.110 9.320 -4.658 1.00 0.00 N ATOM 1050 CA GLY B 22 10.565 8.193 -5.379 1.00 0.00 C ATOM 1051 C GLY B 22 9.061 8.252 -5.534 1.00 0.00 C ATOM 1052 O GLY B 22 8.449 9.310 -5.392 1.00 0.00 O ATOM 0 H GLY B 22 10.425 9.877 -4.148 1.00 0.00 H new ATOM 0 HA2 GLY B 22 11.023 8.146 -6.367 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.834 7.274 -4.859 1.00 0.00 H new ATOM 1056 N ALA B 23 8.474 7.106 -5.830 1.00 0.00 N ATOM 1057 CA ALA B 23 7.038 6.988 -6.008 1.00 0.00 C ATOM 1058 C ALA B 23 6.553 5.658 -5.452 1.00 0.00 C ATOM 1059 O ALA B 23 7.249 4.646 -5.546 1.00 0.00 O ATOM 1060 CB ALA B 23 6.676 7.120 -7.477 1.00 0.00 C ATOM 0 H ALA B 23 8.981 6.229 -5.954 1.00 0.00 H new ATOM 0 HA ALA B 23 6.546 7.793 -5.462 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.596 7.029 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.001 8.093 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.171 6.333 -8.046 1.00 0.00 H new ATOM 1066 N LEU B 24 5.363 5.665 -4.877 1.00 0.00 N ATOM 1067 CA LEU B 24 4.795 4.463 -4.290 1.00 0.00 C ATOM 1068 C LEU B 24 3.735 3.873 -5.205 1.00 0.00 C ATOM 1069 O LEU B 24 2.830 4.571 -5.657 1.00 0.00 O ATOM 1070 CB LEU B 24 4.192 4.780 -2.923 1.00 0.00 C ATOM 1071 CG LEU B 24 3.874 3.559 -2.064 1.00 0.00 C ATOM 1072 CD1 LEU B 24 5.142 2.983 -1.458 1.00 0.00 C ATOM 1073 CD2 LEU B 24 2.875 3.922 -0.978 1.00 0.00 C ATOM 0 H LEU B 24 4.770 6.492 -4.804 1.00 0.00 H new ATOM 0 HA LEU B 24 5.591 3.729 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.884 5.421 -2.376 1.00 0.00 H new ATOM 0 HB3 LEU B 24 3.276 5.352 -3.070 1.00 0.00 H new ATOM 0 HG LEU B 24 3.428 2.796 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU B 24 4.892 2.114 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU B 24 5.823 2.685 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU B 24 5.622 3.737 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.658 3.041 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.295 4.703 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU B 24 1.954 4.283 -1.436 1.00 0.00 H new ATOM 1085 N TYR B 25 3.855 2.592 -5.484 1.00 0.00 N ATOM 1086 CA TYR B 25 2.906 1.914 -6.348 1.00 0.00 C ATOM 1087 C TYR B 25 2.228 0.769 -5.608 1.00 0.00 C ATOM 1088 O TYR B 25 2.876 -0.212 -5.235 1.00 0.00 O ATOM 1089 CB TYR B 25 3.604 1.386 -7.603 1.00 0.00 C ATOM 1090 CG TYR B 25 4.391 2.438 -8.357 1.00 0.00 C ATOM 1091 CD1 TYR B 25 5.754 2.594 -8.145 1.00 0.00 C ATOM 1092 CD2 TYR B 25 3.770 3.274 -9.277 1.00 0.00 C ATOM 1093 CE1 TYR B 25 6.478 3.552 -8.829 1.00 0.00 C ATOM 1094 CE2 TYR B 25 4.487 4.235 -9.966 1.00 0.00 C ATOM 1095 CZ TYR B 25 5.840 4.370 -9.737 1.00 0.00 C ATOM 1096 OH TYR B 25 6.564 5.327 -10.421 1.00 0.00 O ATOM 0 H TYR B 25 4.601 1.996 -5.125 1.00 0.00 H new ATOM 0 HA TYR B 25 2.145 2.635 -6.647 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.277 0.577 -7.319 1.00 0.00 H new ATOM 0 HB3 TYR B 25 2.856 0.959 -8.270 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.257 1.956 -7.434 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.710 3.172 -9.457 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.538 3.659 -8.653 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.990 4.876 -10.679 1.00 0.00 H new ATOM 0 HH TYR B 25 6.158 5.478 -11.300 1.00 0.00 H new ATOM 1106 N LEU B 26 0.930 0.908 -5.375 1.00 0.00 N ATOM 1107 CA LEU B 26 0.172 -0.132 -4.702 1.00 0.00 C ATOM 1108 C LEU B 26 -0.215 -1.181 -5.718 1.00 0.00 C ATOM 1109 O LEU B 26 -0.855 -0.874 -6.722 1.00 0.00 O ATOM 1110 CB LEU B 26 -1.084 0.418 -4.029 1.00 0.00 C ATOM 1111 CG LEU B 26 -0.842 1.389 -2.876 1.00 0.00 C ATOM 1112 CD1 LEU B 26 -2.023 1.380 -1.920 1.00 0.00 C ATOM 1113 CD2 LEU B 26 0.436 1.047 -2.140 1.00 0.00 C ATOM 0 H LEU B 26 0.384 1.727 -5.641 1.00 0.00 H new ATOM 0 HA LEU B 26 0.798 -0.562 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.688 0.921 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.672 -0.421 -3.657 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.736 2.391 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.835 2.077 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.925 1.680 -2.453 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.157 0.376 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.586 1.753 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU B 26 0.365 0.037 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.279 1.105 -2.829 1.00 0.00 H new ATOM 1125 N MET B 27 0.171 -2.408 -5.465 1.00 0.00 N ATOM 1126 CA MET B 27 -0.113 -3.483 -6.385 1.00 0.00 C ATOM 1127 C MET B 27 -1.174 -4.401 -5.800 1.00 0.00 C ATOM 1128 O MET B 27 -1.344 -4.461 -4.584 1.00 0.00 O ATOM 1129 CB MET B 27 1.157 -4.263 -6.679 1.00 0.00 C ATOM 1130 CG MET B 27 2.424 -3.430 -6.559 1.00 0.00 C ATOM 1131 SD MET B 27 3.816 -4.139 -7.446 1.00 0.00 S ATOM 1132 CE MET B 27 3.609 -3.315 -9.015 1.00 0.00 C ATOM 0 H MET B 27 0.683 -2.688 -4.629 1.00 0.00 H new ATOM 0 HA MET B 27 -0.490 -3.064 -7.318 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.221 -5.108 -5.994 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.096 -4.674 -7.687 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.230 -2.427 -6.940 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.686 -3.326 -5.506 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.383 -3.649 -9.706 1.00 0.00 H new ATOM 0 HE2 MET B 27 2.628 -3.554 -9.425 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.690 -2.237 -8.873 1.00 0.00 H new ATOM 1142 N ALA B 28 -1.861 -5.122 -6.671 1.00 0.00 N ATOM 1143 CA ALA B 28 -2.935 -6.030 -6.274 1.00 0.00 C ATOM 1144 C ALA B 28 -2.534 -7.010 -5.164 1.00 0.00 C ATOM 1145 O ALA B 28 -3.376 -7.406 -4.352 1.00 0.00 O ATOM 1146 CB ALA B 28 -3.431 -6.797 -7.489 1.00 0.00 C ATOM 0 H ALA B 28 -1.692 -5.097 -7.677 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.731 -5.410 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -4.232 -7.473 -7.190 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.807 -6.095 -8.233 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.610 -7.373 -7.916 1.00 0.00 H new ATOM 1152 N GLU B 29 -1.264 -7.407 -5.120 1.00 0.00 N ATOM 1153 CA GLU B 29 -0.820 -8.362 -4.108 1.00 0.00 C ATOM 1154 C GLU B 29 0.291 -7.807 -3.202 1.00 0.00 C ATOM 1155 O GLU B 29 0.646 -8.433 -2.196 1.00 0.00 O ATOM 1156 CB GLU B 29 -0.323 -9.652 -4.777 1.00 0.00 C ATOM 1157 CG GLU B 29 -1.035 -10.015 -6.078 1.00 0.00 C ATOM 1158 CD GLU B 29 -2.502 -10.368 -5.900 1.00 0.00 C ATOM 1159 OE1 GLU B 29 -3.311 -10.008 -6.781 1.00 0.00 O ATOM 1160 OE2 GLU B 29 -2.856 -11.003 -4.890 1.00 0.00 O ATOM 0 H GLU B 29 -0.536 -7.089 -5.760 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.686 -8.566 -3.479 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.743 -9.552 -4.979 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.439 -10.477 -4.074 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.955 -9.177 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.522 -10.859 -6.538 1.00 0.00 H new ATOM 1167 N ARG B 30 0.814 -6.622 -3.507 1.00 0.00 N ATOM 1168 CA ARG B 30 1.911 -6.081 -2.701 1.00 0.00 C ATOM 1169 C ARG B 30 2.050 -4.576 -2.843 1.00 0.00 C ATOM 1170 O ARG B 30 1.344 -3.946 -3.615 1.00 0.00 O ATOM 1171 CB ARG B 30 3.236 -6.735 -3.107 1.00 0.00 C ATOM 1172 CG ARG B 30 3.688 -6.390 -4.520 1.00 0.00 C ATOM 1173 CD ARG B 30 5.115 -6.846 -4.780 1.00 0.00 C ATOM 1174 NE ARG B 30 5.374 -6.995 -6.208 1.00 0.00 N ATOM 1175 CZ ARG B 30 6.526 -6.712 -6.808 1.00 0.00 C ATOM 1176 NH1 ARG B 30 7.574 -6.291 -6.110 1.00 0.00 N ATOM 1177 NH2 ARG B 30 6.621 -6.865 -8.121 1.00 0.00 N ATOM 0 H ARG B 30 0.510 -6.032 -4.281 1.00 0.00 H new ATOM 0 HA ARG B 30 1.674 -6.305 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.011 -6.430 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.137 -7.817 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.019 -6.859 -5.241 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.616 -5.313 -4.672 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.812 -6.124 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.293 -7.796 -4.275 1.00 0.00 H new ATOM 0 HE ARG B 30 4.613 -7.343 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.502 -6.181 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG B 30 8.451 -6.078 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.817 -7.195 -8.655 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.498 -6.652 -8.597 1.00 0.00 H new ATOM 1191 N ILE B 31 2.971 -4.016 -2.081 1.00 0.00 N ATOM 1192 CA ILE B 31 3.251 -2.595 -2.122 1.00 0.00 C ATOM 1193 C ILE B 31 4.734 -2.394 -2.404 1.00 0.00 C ATOM 1194 O ILE B 31 5.588 -3.000 -1.749 1.00 0.00 O ATOM 1195 CB ILE B 31 2.850 -1.884 -0.804 1.00 0.00 C ATOM 1196 CG1 ILE B 31 3.356 -0.437 -0.790 1.00 0.00 C ATOM 1197 CG2 ILE B 31 3.374 -2.649 0.401 1.00 0.00 C ATOM 1198 CD1 ILE B 31 2.888 0.362 0.411 1.00 0.00 C ATOM 0 H ILE B 31 3.545 -4.534 -1.417 1.00 0.00 H new ATOM 0 HA ILE B 31 2.653 -2.148 -2.916 1.00 0.00 H new ATOM 0 HB ILE B 31 1.762 -1.863 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.446 -0.443 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.024 0.063 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.081 -2.133 1.315 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.956 -3.656 0.403 1.00 0.00 H new ATOM 0 HG23 ILE B 31 4.461 -2.708 0.350 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.286 1.375 0.351 1.00 0.00 H new ATOM 0 HD12 ILE B 31 1.799 0.400 0.421 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.243 -0.114 1.325 1.00 0.00 H new ATOM 1210 N ALA B 32 5.048 -1.578 -3.395 1.00 0.00 N ATOM 1211 CA ALA B 32 6.432 -1.339 -3.749 1.00 0.00 C ATOM 1212 C ALA B 32 6.713 0.140 -3.954 1.00 0.00 C ATOM 1213 O ALA B 32 5.843 0.902 -4.382 1.00 0.00 O ATOM 1214 CB ALA B 32 6.795 -2.130 -4.996 1.00 0.00 C ATOM 0 H ALA B 32 4.368 -1.074 -3.964 1.00 0.00 H new ATOM 0 HA ALA B 32 7.053 -1.676 -2.919 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.837 -1.944 -5.254 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.653 -3.194 -4.806 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.155 -1.820 -5.822 1.00 0.00 H new ATOM 1220 N TRP B 33 7.933 0.533 -3.635 1.00 0.00 N ATOM 1221 CA TRP B 33 8.365 1.909 -3.781 1.00 0.00 C ATOM 1222 C TRP B 33 9.624 1.954 -4.634 1.00 0.00 C ATOM 1223 O TRP B 33 10.566 1.189 -4.407 1.00 0.00 O ATOM 1224 CB TRP B 33 8.628 2.540 -2.409 1.00 0.00 C ATOM 1225 CG TRP B 33 9.154 3.943 -2.490 1.00 0.00 C ATOM 1226 CD1 TRP B 33 8.427 5.083 -2.669 1.00 0.00 C ATOM 1227 CD2 TRP B 33 10.523 4.351 -2.399 1.00 0.00 C ATOM 1228 NE1 TRP B 33 9.263 6.172 -2.710 1.00 0.00 N ATOM 1229 CE2 TRP B 33 10.552 5.749 -2.543 1.00 0.00 C ATOM 1230 CE3 TRP B 33 11.728 3.669 -2.210 1.00 0.00 C ATOM 1231 CZ2 TRP B 33 11.736 6.476 -2.510 1.00 0.00 C ATOM 1232 CZ3 TRP B 33 12.903 4.393 -2.175 1.00 0.00 C ATOM 1233 CH2 TRP B 33 12.898 5.784 -2.324 1.00 0.00 C ATOM 0 H TRP B 33 8.650 -0.092 -3.268 1.00 0.00 H new ATOM 0 HA TRP B 33 7.576 2.480 -4.270 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.702 2.539 -1.833 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.342 1.923 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.352 5.123 -2.764 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.969 7.140 -2.843 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.740 2.595 -2.093 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.737 7.550 -2.627 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.841 3.877 -2.030 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.834 6.322 -2.291 1.00 0.00 H new ATOM 1244 N ALA B 34 9.631 2.837 -5.616 1.00 0.00 N ATOM 1245 CA ALA B 34 10.769 2.983 -6.504 1.00 0.00 C ATOM 1246 C ALA B 34 11.151 4.447 -6.624 1.00 0.00 C ATOM 1247 O ALA B 34 10.277 5.304 -6.730 1.00 0.00 O ATOM 1248 CB ALA B 34 10.449 2.411 -7.876 1.00 0.00 C ATOM 0 H ALA B 34 8.855 3.468 -5.819 1.00 0.00 H new ATOM 0 HA ALA B 34 11.611 2.431 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.313 2.529 -8.530 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.207 1.352 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.597 2.941 -8.302 1.00 0.00 H new ATOM 1254 N PRO B 35 12.455 4.757 -6.582 1.00 0.00 N ATOM 1255 CA PRO B 35 12.936 6.133 -6.704 1.00 0.00 C ATOM 1256 C PRO B 35 12.479 6.769 -8.021 1.00 0.00 C ATOM 1257 O PRO B 35 12.397 6.097 -9.053 1.00 0.00 O ATOM 1258 CB PRO B 35 14.464 6.002 -6.641 1.00 0.00 C ATOM 1259 CG PRO B 35 14.751 4.561 -6.900 1.00 0.00 C ATOM 1260 CD PRO B 35 13.556 3.799 -6.406 1.00 0.00 C ATOM 0 HA PRO B 35 12.544 6.783 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.943 6.638 -7.385 1.00 0.00 H new ATOM 0 HB3 PRO B 35 14.844 6.309 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.914 4.382 -7.963 1.00 0.00 H new ATOM 0 HG3 PRO B 35 15.656 4.245 -6.381 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.393 2.887 -6.981 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.670 3.502 -5.363 1.00 0.00 H new ATOM 1368 N THR B 42 13.048 -0.364 -4.943 1.00 0.00 N ATOM 1369 CA THR B 42 13.996 -0.651 -3.882 1.00 0.00 C ATOM 1370 C THR B 42 13.278 -1.240 -2.674 1.00 0.00 C ATOM 1371 O THR B 42 13.851 -2.005 -1.899 1.00 0.00 O ATOM 1372 CB THR B 42 14.753 0.622 -3.473 1.00 0.00 C ATOM 1373 OG1 THR B 42 13.914 1.767 -3.684 1.00 0.00 O ATOM 1374 CG2 THR B 42 16.037 0.773 -4.274 1.00 0.00 C ATOM 0 HA THR B 42 14.715 -1.380 -4.256 1.00 0.00 H new ATOM 0 HB THR B 42 15.015 0.545 -2.418 1.00 0.00 H new ATOM 0 HG1 THR B 42 13.168 1.522 -4.270 1.00 0.00 H new ATOM 0 HG21 THR B 42 16.554 1.682 -3.965 1.00 0.00 H new ATOM 0 HG22 THR B 42 16.680 -0.089 -4.096 1.00 0.00 H new ATOM 0 HG23 THR B 42 15.798 0.834 -5.336 1.00 0.00 H new ATOM 1382 N ILE B 43 12.014 -0.875 -2.528 1.00 0.00 N ATOM 1383 CA ILE B 43 11.192 -1.364 -1.435 1.00 0.00 C ATOM 1384 C ILE B 43 10.062 -2.220 -1.988 1.00 0.00 C ATOM 1385 O ILE B 43 9.312 -1.773 -2.853 1.00 0.00 O ATOM 1386 CB ILE B 43 10.589 -0.205 -0.610 1.00 0.00 C ATOM 1387 CG1 ILE B 43 11.693 0.708 -0.062 1.00 0.00 C ATOM 1388 CG2 ILE B 43 9.730 -0.747 0.525 1.00 0.00 C ATOM 1389 CD1 ILE B 43 12.609 0.035 0.939 1.00 0.00 C ATOM 0 H ILE B 43 11.532 -0.235 -3.160 1.00 0.00 H new ATOM 0 HA ILE B 43 11.831 -1.955 -0.779 1.00 0.00 H new ATOM 0 HB ILE B 43 9.955 0.388 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.291 1.078 -0.895 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.232 1.576 0.409 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.314 0.084 1.095 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.919 -1.347 0.113 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.342 -1.366 1.181 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.362 0.746 1.279 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.025 -0.310 1.792 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.101 -0.816 0.468 1.00 0.00 H new ATOM 1401 N SER B 44 9.951 -3.446 -1.506 1.00 0.00 N ATOM 1402 CA SER B 44 8.907 -4.347 -1.961 1.00 0.00 C ATOM 1403 C SER B 44 8.405 -5.205 -0.807 1.00 0.00 C ATOM 1404 O SER B 44 9.139 -6.038 -0.278 1.00 0.00 O ATOM 1405 CB SER B 44 9.425 -5.234 -3.098 1.00 0.00 C ATOM 1406 OG SER B 44 8.444 -6.177 -3.506 1.00 0.00 O ATOM 0 H SER B 44 10.572 -3.840 -0.799 1.00 0.00 H new ATOM 0 HA SER B 44 8.076 -3.751 -2.337 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.709 -4.612 -3.947 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.323 -5.759 -2.772 1.00 0.00 H new ATOM 0 HG SER B 44 8.878 -6.914 -3.984 1.00 0.00 H new ATOM 1412 N HIS B 45 7.159 -4.989 -0.418 1.00 0.00 N ATOM 1413 CA HIS B 45 6.554 -5.744 0.669 1.00 0.00 C ATOM 1414 C HIS B 45 5.229 -6.325 0.231 1.00 0.00 C ATOM 1415 O HIS B 45 4.400 -5.626 -0.353 1.00 0.00 O ATOM 1416 CB HIS B 45 6.320 -4.857 1.897 1.00 0.00 C ATOM 1417 CG HIS B 45 7.567 -4.440 2.609 1.00 0.00 C ATOM 1418 ND1 HIS B 45 8.340 -5.285 3.371 1.00 0.00 N ATOM 1419 CD2 HIS B 45 8.160 -3.224 2.683 1.00 0.00 C ATOM 1420 CE1 HIS B 45 9.354 -4.572 3.876 1.00 0.00 C ATOM 1421 NE2 HIS B 45 9.293 -3.313 3.487 1.00 0.00 N ATOM 0 H HIS B 45 6.544 -4.294 -0.841 1.00 0.00 H new ATOM 0 HA HIS B 45 7.244 -6.546 0.934 1.00 0.00 H new ATOM 0 HB2 HIS B 45 5.779 -3.964 1.586 1.00 0.00 H new ATOM 0 HB3 HIS B 45 5.678 -5.391 2.598 1.00 0.00 H new ATOM 0 HD1 HIS B 45 8.170 -6.279 3.524 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.809 -2.327 2.195 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.123 -4.975 4.519 1.00 0.00 H new ATOM 1429 N MET B 46 5.033 -7.602 0.488 1.00 0.00 N ATOM 1430 CA MET B 46 3.784 -8.239 0.148 1.00 0.00 C ATOM 1431 C MET B 46 2.819 -7.971 1.280 1.00 0.00 C ATOM 1432 O MET B 46 3.230 -7.875 2.437 1.00 0.00 O ATOM 1433 CB MET B 46 3.957 -9.749 -0.047 1.00 0.00 C ATOM 1434 CG MET B 46 4.746 -10.131 -1.289 1.00 0.00 C ATOM 1435 SD MET B 46 3.759 -10.034 -2.796 1.00 0.00 S ATOM 1436 CE MET B 46 4.897 -10.733 -3.990 1.00 0.00 C ATOM 0 H MET B 46 5.720 -8.214 0.929 1.00 0.00 H new ATOM 0 HA MET B 46 3.410 -7.836 -0.794 1.00 0.00 H new ATOM 0 HB2 MET B 46 4.457 -10.162 0.829 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.972 -10.212 -0.099 1.00 0.00 H new ATOM 0 HG2 MET B 46 5.610 -9.473 -1.382 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.128 -11.145 -1.174 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.431 -10.742 -4.975 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.805 -10.130 -4.024 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.149 -11.753 -3.699 1.00 0.00 H new ATOM 1446 N TYR B 47 1.548 -7.825 0.967 1.00 0.00 N ATOM 1447 CA TYR B 47 0.558 -7.566 2.008 1.00 0.00 C ATOM 1448 C TYR B 47 0.511 -8.726 2.999 1.00 0.00 C ATOM 1449 O TYR B 47 0.116 -8.558 4.153 1.00 0.00 O ATOM 1450 CB TYR B 47 -0.823 -7.332 1.402 1.00 0.00 C ATOM 1451 CG TYR B 47 -0.882 -6.155 0.457 1.00 0.00 C ATOM 1452 CD1 TYR B 47 -0.261 -4.952 0.770 1.00 0.00 C ATOM 1453 CD2 TYR B 47 -1.559 -6.248 -0.749 1.00 0.00 C ATOM 1454 CE1 TYR B 47 -0.314 -3.877 -0.095 1.00 0.00 C ATOM 1455 CE2 TYR B 47 -1.617 -5.178 -1.617 1.00 0.00 C ATOM 1456 CZ TYR B 47 -0.993 -3.996 -1.286 1.00 0.00 C ATOM 1457 OH TYR B 47 -1.046 -2.930 -2.154 1.00 0.00 O ATOM 0 H TYR B 47 1.174 -7.879 0.019 1.00 0.00 H new ATOM 0 HA TYR B 47 0.855 -6.662 2.540 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -1.132 -8.231 0.868 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -1.541 -7.176 2.207 1.00 0.00 H new ATOM 0 HD1 TYR B 47 0.272 -4.856 1.705 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.049 -7.173 -1.013 1.00 0.00 H new ATOM 0 HE1 TYR B 47 0.174 -2.949 0.162 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.150 -5.267 -2.552 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.165 -3.259 -3.069 1.00 0.00 H new ATOM 1467 N ALA B 48 0.960 -9.892 2.543 1.00 0.00 N ATOM 1468 CA ALA B 48 0.977 -11.096 3.361 1.00 0.00 C ATOM 1469 C ALA B 48 2.061 -11.041 4.433 1.00 0.00 C ATOM 1470 O ALA B 48 2.071 -11.867 5.345 1.00 0.00 O ATOM 1471 CB ALA B 48 1.176 -12.321 2.482 1.00 0.00 C ATOM 0 H ALA B 48 1.321 -10.026 1.598 1.00 0.00 H new ATOM 0 HA ALA B 48 0.014 -11.163 3.868 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.187 -13.217 3.103 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.360 -12.389 1.762 1.00 0.00 H new ATOM 0 HB3 ALA B 48 2.123 -12.237 1.950 1.00 0.00 H new ATOM 1477 N ASP B 49 2.972 -10.078 4.319 1.00 0.00 N ATOM 1478 CA ASP B 49 4.050 -9.934 5.294 1.00 0.00 C ATOM 1479 C ASP B 49 3.774 -8.754 6.212 1.00 0.00 C ATOM 1480 O ASP B 49 4.414 -8.595 7.257 1.00 0.00 O ATOM 1481 CB ASP B 49 5.411 -9.708 4.612 1.00 0.00 C ATOM 1482 CG ASP B 49 5.539 -10.350 3.241 1.00 0.00 C ATOM 1483 OD1 ASP B 49 5.921 -9.630 2.289 1.00 0.00 O ATOM 1484 OD2 ASP B 49 5.268 -11.562 3.113 1.00 0.00 O ATOM 0 H ASP B 49 2.986 -9.390 3.566 1.00 0.00 H new ATOM 0 HA ASP B 49 4.090 -10.862 5.864 1.00 0.00 H new ATOM 0 HB2 ASP B 49 5.582 -8.636 4.515 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.197 -10.099 5.258 1.00 0.00 H new ATOM 1489 N ILE B 50 2.809 -7.929 5.830 1.00 0.00 N ATOM 1490 CA ILE B 50 2.474 -6.749 6.608 1.00 0.00 C ATOM 1491 C ILE B 50 1.418 -7.071 7.661 1.00 0.00 C ATOM 1492 O ILE B 50 0.362 -7.615 7.351 1.00 0.00 O ATOM 1493 CB ILE B 50 1.962 -5.607 5.708 1.00 0.00 C ATOM 1494 CG1 ILE B 50 2.945 -5.346 4.564 1.00 0.00 C ATOM 1495 CG2 ILE B 50 1.753 -4.344 6.531 1.00 0.00 C ATOM 1496 CD1 ILE B 50 2.408 -4.410 3.503 1.00 0.00 C ATOM 0 H ILE B 50 2.247 -8.056 4.988 1.00 0.00 H new ATOM 0 HA ILE B 50 3.389 -6.423 7.103 1.00 0.00 H new ATOM 0 HB ILE B 50 1.006 -5.904 5.277 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.864 -4.927 4.974 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.208 -6.296 4.099 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.391 -3.544 5.885 1.00 0.00 H new ATOM 0 HG22 ILE B 50 1.020 -4.537 7.314 1.00 0.00 H new ATOM 0 HG23 ILE B 50 2.698 -4.045 6.984 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.159 -4.272 2.725 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.506 -4.836 3.065 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.172 -3.446 3.954 1.00 0.00 H new ATOM 1508 N LYS B 51 1.710 -6.725 8.905 1.00 0.00 N ATOM 1509 CA LYS B 51 0.800 -6.971 10.014 1.00 0.00 C ATOM 1510 C LYS B 51 -0.307 -5.924 10.032 1.00 0.00 C ATOM 1511 O LYS B 51 -1.487 -6.247 9.900 1.00 0.00 O ATOM 1512 CB LYS B 51 1.584 -6.942 11.328 1.00 0.00 C ATOM 1513 CG LYS B 51 0.799 -7.397 12.549 1.00 0.00 C ATOM 1514 CD LYS B 51 1.734 -7.791 13.685 1.00 0.00 C ATOM 1515 CE LYS B 51 2.696 -6.665 14.041 1.00 0.00 C ATOM 1516 NZ LYS B 51 3.880 -7.159 14.799 1.00 0.00 N ATOM 0 H LYS B 51 2.581 -6.267 9.174 1.00 0.00 H new ATOM 0 HA LYS B 51 0.339 -7.951 9.892 1.00 0.00 H new ATOM 0 HB2 LYS B 51 2.465 -7.575 11.223 1.00 0.00 H new ATOM 0 HB3 LYS B 51 1.940 -5.926 11.500 1.00 0.00 H new ATOM 0 HG2 LYS B 51 0.137 -6.596 12.879 1.00 0.00 H new ATOM 0 HG3 LYS B 51 0.166 -8.244 12.284 1.00 0.00 H new ATOM 0 HD2 LYS B 51 1.147 -8.059 14.563 1.00 0.00 H new ATOM 0 HD3 LYS B 51 2.301 -8.677 13.399 1.00 0.00 H new ATOM 0 HE2 LYS B 51 3.030 -6.172 13.128 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.173 -5.916 14.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 4.662 -6.481 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 3.632 -7.259 15.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.174 -8.082 14.421 1.00 0.00 H new ATOM 1530 N CYS B 52 0.096 -4.674 10.174 1.00 0.00 N ATOM 1531 CA CYS B 52 -0.824 -3.549 10.209 1.00 0.00 C ATOM 1532 C CYS B 52 -0.123 -2.334 9.622 1.00 0.00 C ATOM 1533 O CYS B 52 1.032 -2.436 9.204 1.00 0.00 O ATOM 1534 CB CYS B 52 -1.279 -3.275 11.643 1.00 0.00 C ATOM 1535 SG CYS B 52 0.024 -3.485 12.880 1.00 0.00 S ATOM 0 H CYS B 52 1.076 -4.408 10.269 1.00 0.00 H new ATOM 0 HA CYS B 52 -1.713 -3.777 9.620 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -1.663 -2.257 11.703 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -2.106 -3.942 11.885 1.00 0.00 H new ATOM 0 HG CYS B 52 0.193 -2.370 13.526 1.00 0.00 H new ATOM 1541 N GLN B 53 -0.781 -1.188 9.582 1.00 0.00 N ATOM 1542 CA GLN B 53 -0.166 -0.021 9.025 1.00 0.00 C ATOM 1543 C GLN B 53 -0.397 1.138 9.974 1.00 0.00 C ATOM 1544 O GLN B 53 -1.147 1.001 10.920 1.00 0.00 O ATOM 1545 CB GLN B 53 -0.785 0.233 7.647 1.00 0.00 C ATOM 1546 CG GLN B 53 -2.275 -0.053 7.618 1.00 0.00 C ATOM 1547 CD GLN B 53 -2.986 0.547 6.428 1.00 0.00 C ATOM 1548 OE1 GLN B 53 -4.019 0.044 5.999 1.00 0.00 O ATOM 1549 NE2 GLN B 53 -2.453 1.632 5.895 1.00 0.00 N ATOM 0 H GLN B 53 -1.731 -1.052 9.928 1.00 0.00 H new ATOM 0 HA GLN B 53 0.909 -0.147 8.899 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -0.612 1.270 7.360 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -0.284 -0.391 6.907 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -2.429 -1.132 7.616 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -2.728 0.331 8.532 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.592 2.020 6.281 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.902 2.082 5.097 1.00 0.00 H new ATOM 1558 N LYS B 54 0.313 2.226 9.779 1.00 0.00 N ATOM 1559 CA LYS B 54 0.141 3.430 10.580 1.00 0.00 C ATOM 1560 C LYS B 54 0.363 4.606 9.664 1.00 0.00 C ATOM 1561 O LYS B 54 0.852 4.440 8.550 1.00 0.00 O ATOM 1562 CB LYS B 54 1.126 3.527 11.752 1.00 0.00 C ATOM 1563 CG LYS B 54 1.221 2.290 12.615 1.00 0.00 C ATOM 1564 CD LYS B 54 1.121 2.663 14.079 1.00 0.00 C ATOM 1565 CE LYS B 54 2.234 2.047 14.890 1.00 0.00 C ATOM 1566 NZ LYS B 54 2.079 0.576 15.031 1.00 0.00 N ATOM 0 H LYS B 54 1.031 2.307 9.059 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.859 3.412 11.014 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.116 3.752 11.356 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.836 4.368 12.381 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.423 1.594 12.354 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.165 1.778 12.427 1.00 0.00 H new ATOM 0 HD2 LYS B 54 1.154 3.748 14.181 1.00 0.00 H new ATOM 0 HD3 LYS B 54 0.159 2.335 14.473 1.00 0.00 H new ATOM 0 HE2 LYS B 54 3.191 2.266 14.416 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.257 2.505 15.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.002 0.149 15.250 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 1.411 0.370 15.801 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.716 0.178 14.141 1.00 0.00 H new ATOM 1580 N ILE B 55 -0.014 5.774 10.107 1.00 0.00 N ATOM 1581 CA ILE B 55 0.162 6.974 9.295 1.00 0.00 C ATOM 1582 C ILE B 55 0.560 8.152 10.153 1.00 0.00 C ATOM 1583 O ILE B 55 -0.073 8.375 11.154 1.00 0.00 O ATOM 1584 CB ILE B 55 -1.172 7.342 8.611 1.00 0.00 C ATOM 1585 CG1 ILE B 55 -2.288 7.172 9.632 1.00 0.00 C ATOM 1586 CG2 ILE B 55 -1.425 6.486 7.384 1.00 0.00 C ATOM 1587 CD1 ILE B 55 -3.691 7.392 9.139 1.00 0.00 C ATOM 0 H ILE B 55 -0.444 5.933 11.018 1.00 0.00 H new ATOM 0 HA ILE B 55 0.939 6.763 8.561 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.132 8.375 8.266 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.225 6.164 10.041 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.104 7.862 10.456 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.373 6.774 6.929 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.618 6.632 6.666 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.466 5.436 7.675 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.393 7.242 9.959 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -3.788 8.409 8.760 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.911 6.685 8.339 1.00 0.00 H new ATOM 1599 N SER B 56 1.610 8.894 9.818 1.00 0.00 N ATOM 1600 CA SER B 56 1.910 10.061 10.623 1.00 0.00 C ATOM 1601 C SER B 56 0.762 11.009 10.388 1.00 0.00 C ATOM 1602 O SER B 56 0.613 11.533 9.267 1.00 0.00 O ATOM 1603 CB SER B 56 3.265 10.700 10.309 1.00 0.00 C ATOM 1604 OG SER B 56 3.636 10.517 8.972 1.00 0.00 O ATOM 0 H SER B 56 2.238 8.718 9.033 1.00 0.00 H new ATOM 0 HA SER B 56 2.006 9.785 11.673 1.00 0.00 H new ATOM 0 HB2 SER B 56 3.222 11.766 10.530 1.00 0.00 H new ATOM 0 HB3 SER B 56 4.027 10.270 10.958 1.00 0.00 H new ATOM 0 HG SER B 56 4.036 11.343 8.628 1.00 0.00 H new ATOM 1610 N PRO B 57 -0.063 11.176 11.452 1.00 0.00 N ATOM 1611 CA PRO B 57 -1.310 11.951 11.450 1.00 0.00 C ATOM 1612 C PRO B 57 -1.153 13.368 10.923 1.00 0.00 C ATOM 1613 O PRO B 57 -0.034 13.881 10.793 1.00 0.00 O ATOM 1614 CB PRO B 57 -1.706 12.015 12.934 1.00 0.00 C ATOM 1615 CG PRO B 57 -0.488 11.612 13.684 1.00 0.00 C ATOM 1616 CD PRO B 57 0.217 10.651 12.796 1.00 0.00 C ATOM 0 HA PRO B 57 -2.044 11.480 10.796 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -2.025 13.019 13.213 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -2.539 11.345 13.148 1.00 0.00 H new ATOM 0 HG2 PRO B 57 0.140 12.474 13.908 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -0.747 11.150 14.637 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.287 10.621 13.003 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.160 9.636 12.919 1.00 0.00 H new ATOM 1624 N GLU B 58 -2.278 14.003 10.632 1.00 0.00 N ATOM 1625 CA GLU B 58 -2.265 15.371 10.168 1.00 0.00 C ATOM 1626 C GLU B 58 -1.773 16.255 11.304 1.00 0.00 C ATOM 1627 O GLU B 58 -1.880 15.892 12.475 1.00 0.00 O ATOM 1628 CB GLU B 58 -3.654 15.800 9.694 1.00 0.00 C ATOM 1629 CG GLU B 58 -3.970 15.372 8.267 1.00 0.00 C ATOM 1630 CD GLU B 58 -3.842 13.875 8.052 1.00 0.00 C ATOM 1631 OE1 GLU B 58 -3.124 13.459 7.116 1.00 0.00 O ATOM 1632 OE2 GLU B 58 -4.460 13.103 8.809 1.00 0.00 O ATOM 0 H GLU B 58 -3.207 13.589 10.711 1.00 0.00 H new ATOM 0 HA GLU B 58 -1.595 15.467 9.313 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -4.403 15.380 10.365 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -3.734 16.885 9.765 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.984 15.684 8.017 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -3.299 15.890 7.582 1.00 0.00 H new ATOM 1639 N GLY B 59 -1.216 17.396 10.967 1.00 0.00 N ATOM 1640 CA GLY B 59 -0.677 18.268 11.984 1.00 0.00 C ATOM 1641 C GLY B 59 0.823 18.109 12.053 1.00 0.00 C ATOM 1642 O GLY B 59 1.550 19.054 12.360 1.00 0.00 O ATOM 0 H GLY B 59 -1.125 17.738 10.010 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -0.932 19.304 11.760 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.122 18.032 12.951 1.00 0.00 H new ATOM 1646 N LYS B 60 1.284 16.889 11.771 1.00 0.00 N ATOM 1647 CA LYS B 60 2.706 16.598 11.739 1.00 0.00 C ATOM 1648 C LYS B 60 3.305 17.351 10.563 1.00 0.00 C ATOM 1649 O LYS B 60 2.624 17.568 9.561 1.00 0.00 O ATOM 1650 CB LYS B 60 2.965 15.089 11.573 1.00 0.00 C ATOM 1651 CG LYS B 60 3.044 14.310 12.881 1.00 0.00 C ATOM 1652 CD LYS B 60 4.474 14.209 13.406 1.00 0.00 C ATOM 1653 CE LYS B 60 5.124 12.874 13.050 1.00 0.00 C ATOM 1654 NZ LYS B 60 5.408 12.751 11.598 1.00 0.00 N ATOM 0 H LYS B 60 0.686 16.089 11.562 1.00 0.00 H new ATOM 0 HA LYS B 60 3.162 16.908 12.679 1.00 0.00 H new ATOM 0 HB2 LYS B 60 2.171 14.663 10.959 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.898 14.952 11.027 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.417 14.795 13.629 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.642 13.308 12.730 1.00 0.00 H new ATOM 0 HD2 LYS B 60 5.070 15.023 12.993 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.472 14.333 14.489 1.00 0.00 H new ATOM 0 HE2 LYS B 60 6.053 12.765 13.609 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.468 12.060 13.359 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.573 11.752 11.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 4.596 13.107 11.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 6.254 13.307 11.361 1.00 0.00 H new ATOM 1668 N ALA B 61 4.563 17.743 10.675 1.00 0.00 N ATOM 1669 CA ALA B 61 5.220 18.482 9.605 1.00 0.00 C ATOM 1670 C ALA B 61 5.228 17.687 8.305 1.00 0.00 C ATOM 1671 O ALA B 61 5.294 18.260 7.219 1.00 0.00 O ATOM 1672 CB ALA B 61 6.637 18.857 10.010 1.00 0.00 C ATOM 0 H ALA B 61 5.149 17.564 11.491 1.00 0.00 H new ATOM 0 HA ALA B 61 4.652 19.396 9.432 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.113 19.408 9.199 1.00 0.00 H new ATOM 0 HB2 ALA B 61 6.607 19.480 10.904 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.208 17.952 10.217 1.00 0.00 H new ATOM 1678 N LYS B 62 5.156 16.366 8.420 1.00 0.00 N ATOM 1679 CA LYS B 62 5.154 15.505 7.252 1.00 0.00 C ATOM 1680 C LYS B 62 4.169 14.351 7.422 1.00 0.00 C ATOM 1681 O LYS B 62 4.295 13.534 8.342 1.00 0.00 O ATOM 1682 CB LYS B 62 6.564 14.973 6.980 1.00 0.00 C ATOM 1683 CG LYS B 62 7.555 16.070 6.622 1.00 0.00 C ATOM 1684 CD LYS B 62 8.889 15.508 6.174 1.00 0.00 C ATOM 1685 CE LYS B 62 9.667 14.912 7.330 1.00 0.00 C ATOM 1686 NZ LYS B 62 10.985 14.403 6.886 1.00 0.00 N ATOM 0 H LYS B 62 5.098 15.872 9.311 1.00 0.00 H new ATOM 0 HA LYS B 62 4.833 16.097 6.395 1.00 0.00 H new ATOM 0 HB2 LYS B 62 6.922 14.441 7.862 1.00 0.00 H new ATOM 0 HB3 LYS B 62 6.522 14.249 6.166 1.00 0.00 H new ATOM 0 HG2 LYS B 62 7.138 16.690 5.828 1.00 0.00 H new ATOM 0 HG3 LYS B 62 7.706 16.717 7.486 1.00 0.00 H new ATOM 0 HD2 LYS B 62 8.724 14.744 5.414 1.00 0.00 H new ATOM 0 HD3 LYS B 62 9.478 16.298 5.709 1.00 0.00 H new ATOM 0 HE2 LYS B 62 9.808 15.667 8.104 1.00 0.00 H new ATOM 0 HE3 LYS B 62 9.093 14.100 7.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 11.494 14.001 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 10.848 13.666 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 11.540 15.184 6.481 1.00 0.00 H new ATOM 1700 N ILE B 63 3.175 14.315 6.546 1.00 0.00 N ATOM 1701 CA ILE B 63 2.166 13.266 6.557 1.00 0.00 C ATOM 1702 C ILE B 63 2.744 12.044 5.862 1.00 0.00 C ATOM 1703 O ILE B 63 3.138 12.114 4.695 1.00 0.00 O ATOM 1704 CB ILE B 63 0.871 13.743 5.866 1.00 0.00 C ATOM 1705 CG1 ILE B 63 0.275 14.922 6.641 1.00 0.00 C ATOM 1706 CG2 ILE B 63 -0.140 12.617 5.760 1.00 0.00 C ATOM 1707 CD1 ILE B 63 0.167 16.194 5.828 1.00 0.00 C ATOM 0 H ILE B 63 3.046 15.009 5.810 1.00 0.00 H new ATOM 0 HA ILE B 63 1.902 13.012 7.584 1.00 0.00 H new ATOM 0 HB ILE B 63 1.119 14.065 4.855 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -0.717 14.645 6.999 1.00 0.00 H new ATOM 0 HG13 ILE B 63 0.889 15.115 7.520 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.042 12.983 5.269 1.00 0.00 H new ATOM 0 HG22 ILE B 63 0.285 11.800 5.177 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -0.391 12.258 6.758 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -0.264 16.984 6.444 1.00 0.00 H new ATOM 0 HD12 ILE B 63 1.159 16.496 5.492 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -0.472 16.019 4.962 1.00 0.00 H new ATOM 1719 N GLN B 64 2.809 10.921 6.568 1.00 0.00 N ATOM 1720 CA GLN B 64 3.450 9.726 6.005 1.00 0.00 C ATOM 1721 C GLN B 64 2.735 8.437 6.386 1.00 0.00 C ATOM 1722 O GLN B 64 1.836 8.437 7.217 1.00 0.00 O ATOM 1723 CB GLN B 64 4.909 9.656 6.490 1.00 0.00 C ATOM 1724 CG GLN B 64 5.720 10.905 6.179 1.00 0.00 C ATOM 1725 CD GLN B 64 6.825 11.176 7.180 1.00 0.00 C ATOM 1726 OE1 GLN B 64 7.864 11.734 6.835 1.00 0.00 O ATOM 1727 NE2 GLN B 64 6.611 10.786 8.424 1.00 0.00 N ATOM 0 H GLN B 64 2.437 10.807 7.511 1.00 0.00 H new ATOM 0 HA GLN B 64 3.402 9.816 4.920 1.00 0.00 H new ATOM 0 HB2 GLN B 64 4.916 9.488 7.567 1.00 0.00 H new ATOM 0 HB3 GLN B 64 5.394 8.795 6.030 1.00 0.00 H new ATOM 0 HG2 GLN B 64 6.157 10.806 5.186 1.00 0.00 H new ATOM 0 HG3 GLN B 64 5.050 11.764 6.148 1.00 0.00 H new ATOM 0 HE21 GLN B 64 5.735 10.326 8.671 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.322 10.945 9.138 1.00 0.00 H new ATOM 1736 N LEU B 65 3.129 7.343 5.743 1.00 0.00 N ATOM 1737 CA LEU B 65 2.564 6.033 6.031 1.00 0.00 C ATOM 1738 C LEU B 65 3.644 5.121 6.606 1.00 0.00 C ATOM 1739 O LEU B 65 4.811 5.218 6.227 1.00 0.00 O ATOM 1740 CB LEU B 65 1.986 5.381 4.773 1.00 0.00 C ATOM 1741 CG LEU B 65 1.201 4.091 5.033 1.00 0.00 C ATOM 1742 CD1 LEU B 65 -0.269 4.378 5.257 1.00 0.00 C ATOM 1743 CD2 LEU B 65 1.377 3.106 3.901 1.00 0.00 C ATOM 0 H LEU B 65 3.843 7.340 5.014 1.00 0.00 H new ATOM 0 HA LEU B 65 1.759 6.172 6.752 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.331 6.097 4.276 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.802 5.163 4.084 1.00 0.00 H new ATOM 0 HG LEU B 65 1.604 3.644 5.942 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.799 3.443 5.439 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.384 5.034 6.120 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.684 4.864 4.374 1.00 0.00 H new ATOM 0 HD21 LEU B 65 0.808 2.201 4.114 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.017 3.550 2.973 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.433 2.855 3.798 1.00 0.00 H new ATOM 1755 N GLN B 66 3.250 4.251 7.519 1.00 0.00 N ATOM 1756 CA GLN B 66 4.163 3.311 8.145 1.00 0.00 C ATOM 1757 C GLN B 66 3.640 1.891 8.005 1.00 0.00 C ATOM 1758 O GLN B 66 2.513 1.597 8.398 1.00 0.00 O ATOM 1759 CB GLN B 66 4.317 3.652 9.622 1.00 0.00 C ATOM 1760 CG GLN B 66 5.365 2.821 10.342 1.00 0.00 C ATOM 1761 CD GLN B 66 5.583 3.274 11.772 1.00 0.00 C ATOM 1762 OE1 GLN B 66 4.900 2.822 12.692 1.00 0.00 O ATOM 1763 NE2 GLN B 66 6.537 4.170 11.966 1.00 0.00 N ATOM 0 H GLN B 66 2.287 4.176 7.848 1.00 0.00 H new ATOM 0 HA GLN B 66 5.131 3.381 7.649 1.00 0.00 H new ATOM 0 HB2 GLN B 66 4.577 4.706 9.716 1.00 0.00 H new ATOM 0 HB3 GLN B 66 3.356 3.515 10.118 1.00 0.00 H new ATOM 0 HG2 GLN B 66 5.060 1.775 10.338 1.00 0.00 H new ATOM 0 HG3 GLN B 66 6.308 2.880 9.798 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.079 4.518 11.175 1.00 0.00 H new ATOM 0 HE22 GLN B 66 6.731 4.513 12.907 1.00 0.00 H new ATOM 1772 N LEU B 67 4.442 1.019 7.427 1.00 0.00 N ATOM 1773 CA LEU B 67 4.055 -0.373 7.265 1.00 0.00 C ATOM 1774 C LEU B 67 4.666 -1.229 8.360 1.00 0.00 C ATOM 1775 O LEU B 67 5.877 -1.419 8.387 1.00 0.00 O ATOM 1776 CB LEU B 67 4.508 -0.909 5.910 1.00 0.00 C ATOM 1777 CG LEU B 67 3.734 -0.393 4.706 1.00 0.00 C ATOM 1778 CD1 LEU B 67 4.219 -1.089 3.449 1.00 0.00 C ATOM 1779 CD2 LEU B 67 2.239 -0.609 4.898 1.00 0.00 C ATOM 0 H LEU B 67 5.366 1.247 7.061 1.00 0.00 H new ATOM 0 HA LEU B 67 2.968 -0.421 7.327 1.00 0.00 H new ATOM 0 HB2 LEU B 67 5.561 -0.662 5.775 1.00 0.00 H new ATOM 0 HB3 LEU B 67 4.435 -1.996 5.927 1.00 0.00 H new ATOM 0 HG LEU B 67 3.909 0.678 4.605 1.00 0.00 H new ATOM 0 HD11 LEU B 67 3.662 -0.717 2.589 1.00 0.00 H new ATOM 0 HD12 LEU B 67 5.281 -0.888 3.308 1.00 0.00 H new ATOM 0 HD13 LEU B 67 4.063 -2.164 3.545 1.00 0.00 H new ATOM 0 HD21 LEU B 67 1.702 -0.234 4.027 1.00 0.00 H new ATOM 0 HD22 LEU B 67 2.038 -1.674 5.017 1.00 0.00 H new ATOM 0 HD23 LEU B 67 1.905 -0.075 5.788 1.00 0.00 H new ATOM 1791 N VAL B 68 3.840 -1.732 9.263 1.00 0.00 N ATOM 1792 CA VAL B 68 4.335 -2.582 10.331 1.00 0.00 C ATOM 1793 C VAL B 68 4.212 -4.035 9.919 1.00 0.00 C ATOM 1794 O VAL B 68 3.110 -4.569 9.799 1.00 0.00 O ATOM 1795 CB VAL B 68 3.594 -2.360 11.665 1.00 0.00 C ATOM 1796 CG1 VAL B 68 4.101 -3.325 12.725 1.00 0.00 C ATOM 1797 CG2 VAL B 68 3.777 -0.934 12.135 1.00 0.00 C ATOM 0 H VAL B 68 2.833 -1.568 9.278 1.00 0.00 H new ATOM 0 HA VAL B 68 5.379 -2.316 10.496 1.00 0.00 H new ATOM 0 HB VAL B 68 2.532 -2.546 11.503 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.566 -3.153 13.659 1.00 0.00 H new ATOM 0 HG12 VAL B 68 3.933 -4.350 12.394 1.00 0.00 H new ATOM 0 HG13 VAL B 68 5.168 -3.165 12.883 1.00 0.00 H new ATOM 0 HG21 VAL B 68 3.249 -0.791 13.078 1.00 0.00 H new ATOM 0 HG22 VAL B 68 4.838 -0.732 12.279 1.00 0.00 H new ATOM 0 HG23 VAL B 68 3.376 -0.250 11.387 1.00 0.00 H new ATOM 1807 N LEU B 69 5.347 -4.669 9.699 1.00 0.00 N ATOM 1808 CA LEU B 69 5.370 -6.054 9.280 1.00 0.00 C ATOM 1809 C LEU B 69 5.030 -6.976 10.451 1.00 0.00 C ATOM 1810 O LEU B 69 4.920 -6.530 11.597 1.00 0.00 O ATOM 1811 CB LEU B 69 6.718 -6.412 8.668 1.00 0.00 C ATOM 1812 CG LEU B 69 7.144 -5.567 7.460 1.00 0.00 C ATOM 1813 CD1 LEU B 69 8.010 -6.392 6.533 1.00 0.00 C ATOM 1814 CD2 LEU B 69 5.953 -4.994 6.708 1.00 0.00 C ATOM 0 H LEU B 69 6.268 -4.244 9.804 1.00 0.00 H new ATOM 0 HA LEU B 69 4.610 -6.194 8.512 1.00 0.00 H new ATOM 0 HB2 LEU B 69 7.483 -6.321 9.440 1.00 0.00 H new ATOM 0 HB3 LEU B 69 6.693 -7.459 8.366 1.00 0.00 H new ATOM 0 HG LEU B 69 7.719 -4.721 7.836 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.308 -5.785 5.678 1.00 0.00 H new ATOM 0 HD12 LEU B 69 8.899 -6.727 7.068 1.00 0.00 H new ATOM 0 HD13 LEU B 69 7.448 -7.258 6.185 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.306 -4.404 5.862 1.00 0.00 H new ATOM 0 HD22 LEU B 69 5.325 -5.808 6.346 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.372 -4.358 7.376 1.00 0.00 H new ATOM 1826 N HIS B 70 4.862 -8.256 10.156 1.00 0.00 N ATOM 1827 CA HIS B 70 4.488 -9.247 11.165 1.00 0.00 C ATOM 1828 C HIS B 70 5.443 -9.304 12.356 1.00 0.00 C ATOM 1829 O HIS B 70 4.991 -9.288 13.503 1.00 0.00 O ATOM 1830 CB HIS B 70 4.362 -10.627 10.526 1.00 0.00 C ATOM 1831 CG HIS B 70 3.139 -10.762 9.674 1.00 0.00 C ATOM 1832 ND1 HIS B 70 1.958 -10.094 9.916 1.00 0.00 N ATOM 1833 CD2 HIS B 70 2.930 -11.492 8.554 1.00 0.00 C ATOM 1834 CE1 HIS B 70 1.091 -10.431 8.957 1.00 0.00 C ATOM 1835 NE2 HIS B 70 1.629 -11.279 8.108 1.00 0.00 N ATOM 0 H HIS B 70 4.979 -8.640 9.218 1.00 0.00 H new ATOM 0 HA HIS B 70 3.524 -8.928 11.562 1.00 0.00 H new ATOM 0 HB2 HIS B 70 5.246 -10.823 9.919 1.00 0.00 H new ATOM 0 HB3 HIS B 70 4.339 -11.384 11.309 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.656 -12.137 8.082 1.00 0.00 H new ATOM 0 HE1 HIS B 70 0.081 -10.056 8.888 1.00 0.00 H new ATOM 0 HE2 HIS B 70 1.184 -11.695 7.290 1.00 0.00 H new ATOM 1843 N ALA B 71 6.743 -9.338 12.101 1.00 0.00 N ATOM 1844 CA ALA B 71 7.727 -9.423 13.180 1.00 0.00 C ATOM 1845 C ALA B 71 7.797 -8.127 13.985 1.00 0.00 C ATOM 1846 O ALA B 71 8.179 -8.129 15.153 1.00 0.00 O ATOM 1847 CB ALA B 71 9.098 -9.775 12.620 1.00 0.00 C ATOM 0 H ALA B 71 7.143 -9.308 11.163 1.00 0.00 H new ATOM 0 HA ALA B 71 7.406 -10.214 13.858 1.00 0.00 H new ATOM 0 HB1 ALA B 71 9.820 -9.835 13.435 1.00 0.00 H new ATOM 0 HB2 ALA B 71 9.047 -10.737 12.110 1.00 0.00 H new ATOM 0 HB3 ALA B 71 9.411 -9.006 11.914 1.00 0.00 H new ATOM 1853 N GLY B 72 7.381 -7.035 13.368 1.00 0.00 N ATOM 1854 CA GLY B 72 7.423 -5.743 14.025 1.00 0.00 C ATOM 1855 C GLY B 72 8.311 -4.792 13.260 1.00 0.00 C ATOM 1856 O GLY B 72 8.833 -3.819 13.803 1.00 0.00 O ATOM 0 H GLY B 72 7.012 -7.018 12.417 1.00 0.00 H new ATOM 0 HA2 GLY B 72 6.416 -5.332 14.097 1.00 0.00 H new ATOM 0 HA3 GLY B 72 7.794 -5.858 15.043 1.00 0.00 H new ATOM 1860 N ASP B 73 8.448 -5.090 11.983 1.00 0.00 N ATOM 1861 CA ASP B 73 9.263 -4.317 11.068 1.00 0.00 C ATOM 1862 C ASP B 73 8.467 -3.112 10.627 1.00 0.00 C ATOM 1863 O ASP B 73 7.245 -3.120 10.738 1.00 0.00 O ATOM 1864 CB ASP B 73 9.629 -5.177 9.853 1.00 0.00 C ATOM 1865 CG ASP B 73 9.873 -6.632 10.213 1.00 0.00 C ATOM 1866 OD1 ASP B 73 8.884 -7.343 10.527 1.00 0.00 O ATOM 1867 OD2 ASP B 73 11.040 -7.066 10.178 1.00 0.00 O ATOM 0 H ASP B 73 7.989 -5.889 11.546 1.00 0.00 H new ATOM 0 HA ASP B 73 10.183 -3.997 11.558 1.00 0.00 H new ATOM 0 HB2 ASP B 73 8.826 -5.119 9.118 1.00 0.00 H new ATOM 0 HB3 ASP B 73 10.523 -4.769 9.381 1.00 0.00 H new ATOM 1872 N THR B 74 9.123 -2.080 10.135 1.00 0.00 N ATOM 1873 CA THR B 74 8.396 -0.898 9.715 1.00 0.00 C ATOM 1874 C THR B 74 9.045 -0.204 8.525 1.00 0.00 C ATOM 1875 O THR B 74 10.265 -0.040 8.466 1.00 0.00 O ATOM 1876 CB THR B 74 8.270 0.110 10.874 1.00 0.00 C ATOM 1877 OG1 THR B 74 9.471 0.105 11.657 1.00 0.00 O ATOM 1878 CG2 THR B 74 7.088 -0.218 11.769 1.00 0.00 C ATOM 0 H THR B 74 10.135 -2.034 10.018 1.00 0.00 H new ATOM 0 HA THR B 74 7.408 -1.242 9.411 1.00 0.00 H new ATOM 0 HB THR B 74 8.111 1.097 10.441 1.00 0.00 H new ATOM 0 HG1 THR B 74 9.386 0.749 12.391 1.00 0.00 H new ATOM 0 HG21 THR B 74 7.029 0.513 12.576 1.00 0.00 H new ATOM 0 HG22 THR B 74 6.169 -0.188 11.184 1.00 0.00 H new ATOM 0 HG23 THR B 74 7.217 -1.215 12.191 1.00 0.00 H new ATOM 1886 N THR B 75 8.212 0.187 7.575 1.00 0.00 N ATOM 1887 CA THR B 75 8.660 0.895 6.392 1.00 0.00 C ATOM 1888 C THR B 75 7.938 2.238 6.308 1.00 0.00 C ATOM 1889 O THR B 75 6.710 2.279 6.209 1.00 0.00 O ATOM 1890 CB THR B 75 8.382 0.075 5.121 1.00 0.00 C ATOM 1891 OG1 THR B 75 8.429 -1.326 5.426 1.00 0.00 O ATOM 1892 CG2 THR B 75 9.402 0.399 4.040 1.00 0.00 C ATOM 0 H THR B 75 7.206 0.021 7.604 1.00 0.00 H new ATOM 0 HA THR B 75 9.736 1.054 6.465 1.00 0.00 H new ATOM 0 HB THR B 75 7.389 0.334 4.752 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.819 -1.812 4.670 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.188 -0.191 3.149 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.347 1.460 3.794 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.403 0.161 4.401 1.00 0.00 H new ATOM 1900 N ASN B 76 8.693 3.327 6.369 1.00 0.00 N ATOM 1901 CA ASN B 76 8.109 4.667 6.325 1.00 0.00 C ATOM 1902 C ASN B 76 8.098 5.252 4.922 1.00 0.00 C ATOM 1903 O ASN B 76 9.113 5.247 4.222 1.00 0.00 O ATOM 1904 CB ASN B 76 8.862 5.619 7.255 1.00 0.00 C ATOM 1905 CG ASN B 76 8.279 5.653 8.651 1.00 0.00 C ATOM 1906 OD1 ASN B 76 7.251 5.040 8.929 1.00 0.00 O ATOM 1907 ND2 ASN B 76 8.932 6.375 9.538 1.00 0.00 N ATOM 0 H ASN B 76 9.710 3.312 6.449 1.00 0.00 H new ATOM 0 HA ASN B 76 7.076 4.561 6.657 1.00 0.00 H new ATOM 0 HB2 ASN B 76 9.908 5.316 7.309 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.843 6.624 6.833 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.588 6.440 10.496 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.782 6.869 9.267 1.00 0.00 H new ATOM 1914 N PHE B 77 6.941 5.764 4.531 1.00 0.00 N ATOM 1915 CA PHE B 77 6.765 6.385 3.228 1.00 0.00 C ATOM 1916 C PHE B 77 6.246 7.808 3.400 1.00 0.00 C ATOM 1917 O PHE B 77 5.095 8.019 3.783 1.00 0.00 O ATOM 1918 CB PHE B 77 5.806 5.563 2.368 1.00 0.00 C ATOM 1919 CG PHE B 77 6.367 4.225 1.992 1.00 0.00 C ATOM 1920 CD1 PHE B 77 5.701 3.057 2.325 1.00 0.00 C ATOM 1921 CD2 PHE B 77 7.573 4.136 1.316 1.00 0.00 C ATOM 1922 CE1 PHE B 77 6.227 1.827 1.991 1.00 0.00 C ATOM 1923 CE2 PHE B 77 8.102 2.909 0.977 1.00 0.00 C ATOM 1924 CZ PHE B 77 7.429 1.752 1.315 1.00 0.00 C ATOM 0 H PHE B 77 6.099 5.761 5.107 1.00 0.00 H new ATOM 0 HA PHE B 77 7.729 6.421 2.720 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.870 5.421 2.909 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.569 6.120 1.462 1.00 0.00 H new ATOM 0 HD1 PHE B 77 4.760 3.110 2.852 1.00 0.00 H new ATOM 0 HD2 PHE B 77 8.105 5.038 1.052 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.700 0.923 2.258 1.00 0.00 H new ATOM 0 HE2 PHE B 77 9.042 2.853 0.448 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.842 0.790 1.051 1.00 0.00 H new ATOM 1934 N HIS B 78 7.110 8.769 3.121 1.00 0.00 N ATOM 1935 CA HIS B 78 6.782 10.182 3.260 1.00 0.00 C ATOM 1936 C HIS B 78 6.131 10.722 1.995 1.00 0.00 C ATOM 1937 O HIS B 78 6.688 10.622 0.907 1.00 0.00 O ATOM 1938 CB HIS B 78 8.065 10.970 3.589 1.00 0.00 C ATOM 1939 CG HIS B 78 7.964 12.466 3.443 1.00 0.00 C ATOM 1940 ND1 HIS B 78 9.026 13.268 3.088 1.00 0.00 N ATOM 1941 CD2 HIS B 78 6.905 13.303 3.596 1.00 0.00 C ATOM 1942 CE1 HIS B 78 8.590 14.531 3.032 1.00 0.00 C ATOM 1943 NE2 HIS B 78 7.311 14.607 3.332 1.00 0.00 N ATOM 0 H HIS B 78 8.059 8.594 2.792 1.00 0.00 H new ATOM 0 HA HIS B 78 6.065 10.300 4.072 1.00 0.00 H new ATOM 0 HB2 HIS B 78 8.358 10.742 4.614 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.866 10.613 2.942 1.00 0.00 H new ATOM 0 HD2 HIS B 78 5.906 13.004 3.878 1.00 0.00 H new ATOM 0 HE1 HIS B 78 9.208 15.379 2.774 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.736 15.449 3.364 1.00 0.00 H new ATOM 1951 N PHE B 79 4.949 11.292 2.146 1.00 0.00 N ATOM 1952 CA PHE B 79 4.243 11.877 1.022 1.00 0.00 C ATOM 1953 C PHE B 79 4.748 13.299 0.823 1.00 0.00 C ATOM 1954 O PHE B 79 4.113 14.264 1.241 1.00 0.00 O ATOM 1955 CB PHE B 79 2.733 11.856 1.270 1.00 0.00 C ATOM 1956 CG PHE B 79 2.156 10.468 1.295 1.00 0.00 C ATOM 1957 CD1 PHE B 79 2.206 9.703 2.449 1.00 0.00 C ATOM 1958 CD2 PHE B 79 1.572 9.928 0.162 1.00 0.00 C ATOM 1959 CE1 PHE B 79 1.684 8.424 2.472 1.00 0.00 C ATOM 1960 CE2 PHE B 79 1.047 8.651 0.180 1.00 0.00 C ATOM 1961 CZ PHE B 79 1.103 7.898 1.336 1.00 0.00 C ATOM 0 H PHE B 79 4.458 11.362 3.037 1.00 0.00 H new ATOM 0 HA PHE B 79 4.432 11.297 0.118 1.00 0.00 H new ATOM 0 HB2 PHE B 79 2.520 12.348 2.219 1.00 0.00 H new ATOM 0 HB3 PHE B 79 2.236 12.435 0.492 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.658 10.111 3.341 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.527 10.512 -0.746 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.731 7.837 3.377 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.593 8.241 -0.710 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.693 6.899 1.351 1.00 0.00 H new ATOM 1971 N SER B 80 5.919 13.402 0.209 1.00 0.00 N ATOM 1972 CA SER B 80 6.570 14.682 -0.033 1.00 0.00 C ATOM 1973 C SER B 80 5.793 15.579 -0.995 1.00 0.00 C ATOM 1974 O SER B 80 6.095 16.762 -1.111 1.00 0.00 O ATOM 1975 CB SER B 80 7.989 14.440 -0.544 1.00 0.00 C ATOM 1976 OG SER B 80 8.076 13.214 -1.250 1.00 0.00 O ATOM 0 H SER B 80 6.445 12.599 -0.136 1.00 0.00 H new ATOM 0 HA SER B 80 6.602 15.217 0.916 1.00 0.00 H new ATOM 0 HB2 SER B 80 8.289 15.260 -1.196 1.00 0.00 H new ATOM 0 HB3 SER B 80 8.684 14.430 0.295 1.00 0.00 H new ATOM 0 HG SER B 80 7.282 13.104 -1.814 1.00 0.00 H new ATOM 1982 N ASN B 81 4.812 15.018 -1.685 1.00 0.00 N ATOM 1983 CA ASN B 81 3.996 15.798 -2.607 1.00 0.00 C ATOM 1984 C ASN B 81 3.015 16.651 -1.815 1.00 0.00 C ATOM 1985 O ASN B 81 1.930 16.197 -1.469 1.00 0.00 O ATOM 1986 CB ASN B 81 3.240 14.880 -3.570 1.00 0.00 C ATOM 1987 CG ASN B 81 2.431 15.648 -4.597 1.00 0.00 C ATOM 1988 OD1 ASN B 81 2.771 16.773 -4.968 1.00 0.00 O ATOM 1989 ND2 ASN B 81 1.351 15.049 -5.063 1.00 0.00 N ATOM 0 H ASN B 81 4.561 14.031 -1.626 1.00 0.00 H new ATOM 0 HA ASN B 81 4.647 16.444 -3.196 1.00 0.00 H new ATOM 0 HB2 ASN B 81 3.952 14.234 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN B 81 2.574 14.232 -3.000 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.766 15.518 -5.754 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.102 14.117 -4.732 1.00 0.00 H new ATOM 1996 N GLU B 82 3.401 17.891 -1.543 1.00 0.00 N ATOM 1997 CA GLU B 82 2.575 18.814 -0.758 1.00 0.00 C ATOM 1998 C GLU B 82 1.241 19.125 -1.438 1.00 0.00 C ATOM 1999 O GLU B 82 0.340 19.694 -0.819 1.00 0.00 O ATOM 2000 CB GLU B 82 3.339 20.116 -0.477 1.00 0.00 C ATOM 2001 CG GLU B 82 3.959 20.760 -1.711 1.00 0.00 C ATOM 2002 CD GLU B 82 5.335 20.210 -2.030 1.00 0.00 C ATOM 2003 OE1 GLU B 82 5.422 19.253 -2.825 1.00 0.00 O ATOM 2004 OE2 GLU B 82 6.329 20.733 -1.484 1.00 0.00 O ATOM 0 H GLU B 82 4.287 18.288 -1.855 1.00 0.00 H new ATOM 0 HA GLU B 82 2.352 18.315 0.185 1.00 0.00 H new ATOM 0 HB2 GLU B 82 2.658 20.830 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU B 82 4.128 19.911 0.246 1.00 0.00 H new ATOM 0 HG2 GLU B 82 3.302 20.603 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU B 82 4.029 21.837 -1.557 1.00 0.00 H new ATOM 2011 N SER B 83 1.115 18.757 -2.703 1.00 0.00 N ATOM 2012 CA SER B 83 -0.110 18.996 -3.445 1.00 0.00 C ATOM 2013 C SER B 83 -1.239 18.088 -2.952 1.00 0.00 C ATOM 2014 O SER B 83 -2.339 18.554 -2.631 1.00 0.00 O ATOM 2015 CB SER B 83 0.135 18.763 -4.938 1.00 0.00 C ATOM 2016 OG SER B 83 1.427 19.211 -5.318 1.00 0.00 O ATOM 0 H SER B 83 1.848 18.291 -3.237 1.00 0.00 H new ATOM 0 HA SER B 83 -0.412 20.031 -3.283 1.00 0.00 H new ATOM 0 HB2 SER B 83 0.033 17.702 -5.166 1.00 0.00 H new ATOM 0 HB3 SER B 83 -0.622 19.288 -5.521 1.00 0.00 H new ATOM 0 HG SER B 83 2.062 18.468 -5.256 1.00 0.00 H new ATOM 2022 N THR B 84 -0.968 16.791 -2.898 1.00 0.00 N ATOM 2023 CA THR B 84 -1.962 15.823 -2.465 1.00 0.00 C ATOM 2024 C THR B 84 -1.396 14.841 -1.439 1.00 0.00 C ATOM 2025 O THR B 84 -1.769 13.675 -1.437 1.00 0.00 O ATOM 2026 CB THR B 84 -2.507 15.036 -3.675 1.00 0.00 C ATOM 2027 OG1 THR B 84 -1.496 14.936 -4.684 1.00 0.00 O ATOM 2028 CG2 THR B 84 -3.739 15.711 -4.259 1.00 0.00 C ATOM 0 H THR B 84 -0.066 16.386 -3.149 1.00 0.00 H new ATOM 0 HA THR B 84 -2.769 16.383 -1.992 1.00 0.00 H new ATOM 0 HB THR B 84 -2.788 14.040 -3.332 1.00 0.00 H new ATOM 0 HG1 THR B 84 -0.950 14.139 -4.522 1.00 0.00 H new ATOM 0 HG21 THR B 84 -4.101 15.134 -5.110 1.00 0.00 H new ATOM 0 HG22 THR B 84 -4.519 15.765 -3.499 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.481 16.718 -4.587 1.00 0.00 H new ATOM 2036 N ALA B 85 -0.529 15.324 -0.554 1.00 0.00 N ATOM 2037 CA ALA B 85 0.097 14.475 0.463 1.00 0.00 C ATOM 2038 C ALA B 85 -0.940 13.708 1.271 1.00 0.00 C ATOM 2039 O ALA B 85 -0.964 12.478 1.257 1.00 0.00 O ATOM 2040 CB ALA B 85 0.970 15.310 1.392 1.00 0.00 C ATOM 0 H ALA B 85 -0.241 16.302 -0.518 1.00 0.00 H new ATOM 0 HA ALA B 85 0.721 13.749 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA B 85 1.427 14.663 2.141 1.00 0.00 H new ATOM 0 HB2 ALA B 85 1.751 15.802 0.812 1.00 0.00 H new ATOM 0 HB3 ALA B 85 0.357 16.063 1.888 1.00 0.00 H new ATOM 2046 N VAL B 86 -1.795 14.441 1.964 1.00 0.00 N ATOM 2047 CA VAL B 86 -2.843 13.845 2.779 1.00 0.00 C ATOM 2048 C VAL B 86 -3.826 13.063 1.908 1.00 0.00 C ATOM 2049 O VAL B 86 -4.293 11.986 2.287 1.00 0.00 O ATOM 2050 CB VAL B 86 -3.597 14.930 3.579 1.00 0.00 C ATOM 2051 CG1 VAL B 86 -4.822 14.367 4.274 1.00 0.00 C ATOM 2052 CG2 VAL B 86 -2.682 15.569 4.593 1.00 0.00 C ATOM 0 H VAL B 86 -1.784 15.461 1.979 1.00 0.00 H new ATOM 0 HA VAL B 86 -2.372 13.157 3.481 1.00 0.00 H new ATOM 0 HB VAL B 86 -3.931 15.685 2.867 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -5.325 15.161 4.826 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -5.504 13.954 3.531 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -4.519 13.581 4.965 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -3.229 16.331 5.148 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -2.317 14.809 5.284 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -1.837 16.030 4.081 1.00 0.00 H new ATOM 2062 N LYS B 87 -4.103 13.592 0.723 1.00 0.00 N ATOM 2063 CA LYS B 87 -5.031 12.952 -0.206 1.00 0.00 C ATOM 2064 C LYS B 87 -4.517 11.581 -0.642 1.00 0.00 C ATOM 2065 O LYS B 87 -5.233 10.582 -0.545 1.00 0.00 O ATOM 2066 CB LYS B 87 -5.278 13.840 -1.430 1.00 0.00 C ATOM 2067 CG LYS B 87 -6.459 14.790 -1.272 1.00 0.00 C ATOM 2068 CD LYS B 87 -6.059 16.081 -0.572 1.00 0.00 C ATOM 2069 CE LYS B 87 -5.633 17.150 -1.569 1.00 0.00 C ATOM 2070 NZ LYS B 87 -4.851 18.234 -0.921 1.00 0.00 N ATOM 0 H LYS B 87 -3.699 14.464 0.380 1.00 0.00 H new ATOM 0 HA LYS B 87 -5.977 12.812 0.317 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -4.379 14.423 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -5.448 13.205 -2.300 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -6.872 15.022 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.247 14.298 -0.703 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.896 16.449 0.021 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -5.241 15.882 0.121 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -5.035 16.693 -2.357 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -6.517 17.575 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -5.423 19.102 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -4.596 17.948 0.046 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -3.985 18.413 -1.469 1.00 0.00 H new ATOM 2084 N GLU B 88 -3.275 11.529 -1.111 1.00 0.00 N ATOM 2085 CA GLU B 88 -2.679 10.271 -1.542 1.00 0.00 C ATOM 2086 C GLU B 88 -2.438 9.381 -0.328 1.00 0.00 C ATOM 2087 O GLU B 88 -2.466 8.156 -0.426 1.00 0.00 O ATOM 2088 CB GLU B 88 -1.375 10.514 -2.319 1.00 0.00 C ATOM 2089 CG GLU B 88 -1.568 11.347 -3.580 1.00 0.00 C ATOM 2090 CD GLU B 88 -0.261 11.776 -4.222 1.00 0.00 C ATOM 2091 OE1 GLU B 88 0.365 10.956 -4.926 1.00 0.00 O ATOM 2092 OE2 GLU B 88 0.130 12.951 -4.039 1.00 0.00 O ATOM 0 H GLU B 88 -2.664 12.341 -1.202 1.00 0.00 H new ATOM 0 HA GLU B 88 -3.368 9.766 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -0.660 11.016 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -0.938 9.553 -2.591 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.148 10.772 -4.302 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.153 12.234 -3.335 1.00 0.00 H new ATOM 2099 N ARG B 89 -2.225 10.014 0.825 1.00 0.00 N ATOM 2100 CA ARG B 89 -2.007 9.294 2.074 1.00 0.00 C ATOM 2101 C ARG B 89 -3.236 8.460 2.408 1.00 0.00 C ATOM 2102 O ARG B 89 -3.122 7.292 2.774 1.00 0.00 O ATOM 2103 CB ARG B 89 -1.707 10.273 3.213 1.00 0.00 C ATOM 2104 CG ARG B 89 -0.967 9.653 4.390 1.00 0.00 C ATOM 2105 CD ARG B 89 -1.905 9.313 5.539 1.00 0.00 C ATOM 2106 NE ARG B 89 -2.728 10.451 5.948 1.00 0.00 N ATOM 2107 CZ ARG B 89 -4.056 10.462 5.886 1.00 0.00 C ATOM 2108 NH1 ARG B 89 -4.706 9.384 5.474 1.00 0.00 N ATOM 2109 NH2 ARG B 89 -4.730 11.537 6.255 1.00 0.00 N ATOM 0 H ARG B 89 -2.199 11.029 0.917 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.148 8.634 1.954 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.114 11.099 2.820 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -2.646 10.696 3.571 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.455 8.749 4.061 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -0.200 10.344 4.740 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.553 8.488 5.242 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.320 8.968 6.391 1.00 0.00 H new ATOM 0 HE ARG B 89 -2.256 11.284 6.301 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -4.188 8.548 5.205 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.725 9.390 5.426 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -4.231 12.362 6.589 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.749 11.542 6.206 1.00 0.00 H new ATOM 2123 N ASP B 90 -4.410 9.072 2.279 1.00 0.00 N ATOM 2124 CA ASP B 90 -5.677 8.386 2.540 1.00 0.00 C ATOM 2125 C ASP B 90 -5.907 7.295 1.506 1.00 0.00 C ATOM 2126 O ASP B 90 -6.369 6.212 1.837 1.00 0.00 O ATOM 2127 CB ASP B 90 -6.851 9.371 2.510 1.00 0.00 C ATOM 2128 CG ASP B 90 -7.145 9.959 3.872 1.00 0.00 C ATOM 2129 OD1 ASP B 90 -7.302 9.181 4.839 1.00 0.00 O ATOM 2130 OD2 ASP B 90 -7.219 11.194 3.995 1.00 0.00 O ATOM 0 H ASP B 90 -4.513 10.046 1.994 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.618 7.941 3.533 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -6.628 10.176 1.810 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.740 8.862 2.138 1.00 0.00 H new ATOM 2135 N ALA B 91 -5.557 7.582 0.254 1.00 0.00 N ATOM 2136 CA ALA B 91 -5.726 6.624 -0.830 1.00 0.00 C ATOM 2137 C ALA B 91 -4.927 5.352 -0.565 1.00 0.00 C ATOM 2138 O ALA B 91 -5.433 4.245 -0.739 1.00 0.00 O ATOM 2139 CB ALA B 91 -5.313 7.248 -2.154 1.00 0.00 C ATOM 0 H ALA B 91 -5.154 8.474 -0.033 1.00 0.00 H new ATOM 0 HA ALA B 91 -6.780 6.353 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.444 6.521 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -5.932 8.123 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -4.266 7.548 -2.104 1.00 0.00 H new ATOM 2145 N VAL B 92 -3.682 5.514 -0.130 1.00 0.00 N ATOM 2146 CA VAL B 92 -2.822 4.375 0.162 1.00 0.00 C ATOM 2147 C VAL B 92 -3.296 3.692 1.428 1.00 0.00 C ATOM 2148 O VAL B 92 -3.295 2.472 1.542 1.00 0.00 O ATOM 2149 CB VAL B 92 -1.351 4.806 0.355 1.00 0.00 C ATOM 2150 CG1 VAL B 92 -0.465 3.611 0.670 1.00 0.00 C ATOM 2151 CG2 VAL B 92 -0.840 5.536 -0.871 1.00 0.00 C ATOM 0 H VAL B 92 -3.247 6.423 0.028 1.00 0.00 H new ATOM 0 HA VAL B 92 -2.877 3.694 -0.687 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.313 5.488 1.205 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.564 3.945 0.801 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.810 3.134 1.587 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.513 2.896 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL B 92 0.198 5.830 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -0.903 4.879 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -1.447 6.425 -1.045 1.00 0.00 H new ATOM 2161 N LYS B 93 -3.735 4.512 2.359 1.00 0.00 N ATOM 2162 CA LYS B 93 -4.210 4.057 3.645 1.00 0.00 C ATOM 2163 C LYS B 93 -5.459 3.197 3.505 1.00 0.00 C ATOM 2164 O LYS B 93 -5.482 2.055 3.956 1.00 0.00 O ATOM 2165 CB LYS B 93 -4.476 5.288 4.511 1.00 0.00 C ATOM 2166 CG LYS B 93 -5.570 5.127 5.545 1.00 0.00 C ATOM 2167 CD LYS B 93 -5.829 6.442 6.250 1.00 0.00 C ATOM 2168 CE LYS B 93 -7.215 6.490 6.855 1.00 0.00 C ATOM 2169 NZ LYS B 93 -8.249 6.940 5.881 1.00 0.00 N ATOM 0 H LYS B 93 -3.772 5.525 2.241 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.456 3.427 4.116 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.552 5.559 5.022 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -4.735 6.122 3.859 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -6.484 4.778 5.065 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -5.283 4.368 6.272 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -5.085 6.588 7.033 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.712 7.263 5.543 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.479 5.501 7.229 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -7.210 7.164 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -9.167 7.021 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -7.980 7.866 5.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.323 6.248 5.108 1.00 0.00 H new ATOM 2183 N ASP B 94 -6.471 3.746 2.850 1.00 0.00 N ATOM 2184 CA ASP B 94 -7.744 3.061 2.660 1.00 0.00 C ATOM 2185 C ASP B 94 -7.596 1.819 1.799 1.00 0.00 C ATOM 2186 O ASP B 94 -8.208 0.783 2.074 1.00 0.00 O ATOM 2187 CB ASP B 94 -8.760 4.016 2.041 1.00 0.00 C ATOM 2188 CG ASP B 94 -9.531 4.779 3.095 1.00 0.00 C ATOM 2189 OD1 ASP B 94 -8.921 5.619 3.785 1.00 0.00 O ATOM 2190 OD2 ASP B 94 -10.744 4.524 3.255 1.00 0.00 O ATOM 0 H ASP B 94 -6.435 4.677 2.435 1.00 0.00 H new ATOM 0 HA ASP B 94 -8.098 2.738 3.639 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.245 4.720 1.387 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.456 3.453 1.419 1.00 0.00 H new ATOM 2195 N LEU B 95 -6.763 1.909 0.779 1.00 0.00 N ATOM 2196 CA LEU B 95 -6.549 0.780 -0.114 1.00 0.00 C ATOM 2197 C LEU B 95 -5.747 -0.295 0.605 1.00 0.00 C ATOM 2198 O LEU B 95 -5.841 -1.475 0.280 1.00 0.00 O ATOM 2199 CB LEU B 95 -5.839 1.210 -1.400 1.00 0.00 C ATOM 2200 CG LEU B 95 -5.914 0.198 -2.547 1.00 0.00 C ATOM 2201 CD1 LEU B 95 -7.362 -0.119 -2.890 1.00 0.00 C ATOM 2202 CD2 LEU B 95 -5.184 0.724 -3.771 1.00 0.00 C ATOM 0 H LEU B 95 -6.226 2.745 0.547 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.521 0.376 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.270 2.153 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.791 1.402 -1.172 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.428 -0.722 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.393 -0.840 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.859 -0.540 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.873 0.795 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.248 -0.009 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.642 1.659 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -4.137 0.900 -3.523 1.00 0.00 H new ATOM 2214 N LEU B 96 -4.958 0.116 1.590 1.00 0.00 N ATOM 2215 CA LEU B 96 -4.188 -0.834 2.363 1.00 0.00 C ATOM 2216 C LEU B 96 -5.123 -1.600 3.278 1.00 0.00 C ATOM 2217 O LEU B 96 -5.149 -2.817 3.224 1.00 0.00 O ATOM 2218 CB LEU B 96 -3.073 -0.161 3.143 1.00 0.00 C ATOM 2219 CG LEU B 96 -1.750 -0.073 2.392 1.00 0.00 C ATOM 2220 CD1 LEU B 96 -0.717 0.657 3.222 1.00 0.00 C ATOM 2221 CD2 LEU B 96 -1.250 -1.460 2.027 1.00 0.00 C ATOM 0 H LEU B 96 -4.839 1.091 1.866 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.702 -1.531 1.680 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -3.391 0.845 3.415 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -2.914 -0.707 4.073 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.915 0.488 1.472 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.221 0.710 2.670 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -1.070 1.666 3.437 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.558 0.121 4.158 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.304 -1.377 1.491 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.102 -2.044 2.935 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.984 -1.956 1.392 1.00 0.00 H new ATOM 2233 N GLN B 97 -5.894 -0.905 4.127 1.00 0.00 N ATOM 2234 CA GLN B 97 -6.878 -1.585 4.965 1.00 0.00 C ATOM 2235 C GLN B 97 -7.816 -2.441 4.100 1.00 0.00 C ATOM 2236 O GLN B 97 -8.548 -3.289 4.604 1.00 0.00 O ATOM 2237 CB GLN B 97 -7.680 -0.573 5.775 1.00 0.00 C ATOM 2238 CG GLN B 97 -7.839 0.764 5.085 1.00 0.00 C ATOM 2239 CD GLN B 97 -7.970 1.921 6.048 1.00 0.00 C ATOM 2240 OE1 GLN B 97 -8.521 2.967 5.715 1.00 0.00 O ATOM 2241 NE2 GLN B 97 -7.495 1.738 7.252 1.00 0.00 N ATOM 0 H GLN B 97 -5.854 0.107 4.247 1.00 0.00 H new ATOM 0 HA GLN B 97 -6.349 -2.240 5.657 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -8.667 -0.986 5.981 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -7.191 -0.420 6.737 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.980 0.935 4.437 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -8.720 0.732 4.444 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.043 0.856 7.493 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.576 2.477 7.950 1.00 0.00 H new ATOM 2250 N GLN B 98 -7.827 -2.161 2.802 1.00 0.00 N ATOM 2251 CA GLN B 98 -8.607 -2.925 1.838 1.00 0.00 C ATOM 2252 C GLN B 98 -7.879 -4.209 1.417 1.00 0.00 C ATOM 2253 O GLN B 98 -8.439 -5.301 1.487 1.00 0.00 O ATOM 2254 CB GLN B 98 -8.880 -2.072 0.595 1.00 0.00 C ATOM 2255 CG GLN B 98 -10.168 -1.283 0.662 1.00 0.00 C ATOM 2256 CD GLN B 98 -11.372 -2.143 0.353 1.00 0.00 C ATOM 2257 OE1 GLN B 98 -11.825 -2.212 -0.786 1.00 0.00 O ATOM 2258 NE2 GLN B 98 -11.885 -2.818 1.365 1.00 0.00 N ATOM 0 H GLN B 98 -7.294 -1.396 2.388 1.00 0.00 H new ATOM 0 HA GLN B 98 -9.546 -3.201 2.317 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.049 -1.381 0.452 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.909 -2.722 -0.280 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.277 -0.849 1.656 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -10.123 -0.454 -0.044 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.477 -2.731 2.296 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -12.690 -3.427 1.216 1.00 0.00 H new ATOM 2267 N LEU B 99 -6.623 -4.068 1.001 1.00 0.00 N ATOM 2268 CA LEU B 99 -5.831 -5.201 0.513 1.00 0.00 C ATOM 2269 C LEU B 99 -5.075 -5.964 1.606 1.00 0.00 C ATOM 2270 O LEU B 99 -4.818 -7.158 1.459 1.00 0.00 O ATOM 2271 CB LEU B 99 -4.836 -4.704 -0.530 1.00 0.00 C ATOM 2272 CG LEU B 99 -5.460 -4.268 -1.850 1.00 0.00 C ATOM 2273 CD1 LEU B 99 -4.485 -3.418 -2.648 1.00 0.00 C ATOM 2274 CD2 LEU B 99 -5.890 -5.479 -2.656 1.00 0.00 C ATOM 0 H LEU B 99 -6.127 -3.177 0.991 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.543 -5.908 0.087 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.281 -3.864 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.114 -5.496 -0.729 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.341 -3.665 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.949 -3.117 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.221 -2.531 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.585 -3.996 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.334 -5.151 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.022 -6.105 -2.863 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.623 -6.052 -2.089 1.00 0.00 H new ATOM 2286 N LEU B 100 -4.708 -5.285 2.681 1.00 0.00 N ATOM 2287 CA LEU B 100 -3.959 -5.908 3.775 1.00 0.00 C ATOM 2288 C LEU B 100 -4.671 -7.141 4.356 1.00 0.00 C ATOM 2289 O LEU B 100 -4.061 -8.208 4.453 1.00 0.00 O ATOM 2290 CB LEU B 100 -3.646 -4.884 4.878 1.00 0.00 C ATOM 2291 CG LEU B 100 -2.421 -4.006 4.600 1.00 0.00 C ATOM 2292 CD1 LEU B 100 -2.251 -2.920 5.662 1.00 0.00 C ATOM 2293 CD2 LEU B 100 -1.174 -4.866 4.514 1.00 0.00 C ATOM 0 H LEU B 100 -4.915 -4.297 2.825 1.00 0.00 H new ATOM 0 HA LEU B 100 -3.019 -6.261 3.350 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -4.515 -4.240 5.016 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -3.491 -5.416 5.817 1.00 0.00 H new ATOM 0 HG LEU B 100 -2.577 -3.506 3.644 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -1.372 -2.319 5.430 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -3.134 -2.282 5.674 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -2.125 -3.384 6.640 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -0.309 -4.233 4.316 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -1.030 -5.393 5.457 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -1.286 -5.590 3.707 1.00 0.00 H new